Synonyms: NSC707484
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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4
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Hydrogen bond donors
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0
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Rotatable bonds
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10
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Topological polar surface area
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36.02
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Molecular weight
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449.3
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XLogP
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4.83
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No. Lipinski's rules broken
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0
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SMILES / InChI / InChIKey
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Canonical SMILES
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C=CCN1CC(C)N(CC1C)C(c1cccc(c1)OC)c1ccc(cc1)C(=O)N(CC)CC
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Isomeric SMILES
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C=CCN1C[C@H](C)N(C[C@H]1C)[C@@H](c1cccc(c1)OC)c1ccc(cc1)C(=O)N(CC)CC
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InChI
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InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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InChI Key
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KQWVAUSXZDRQPZ-UMTXDNHDSA-N
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