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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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7
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Hydrogen bond donors
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0
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Rotatable bonds
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6
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Topological polar surface area
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69.64
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Molecular weight
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383.23
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XLogP
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1.6
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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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O=C1N(CCCCN2CCN(CC2)c2ncccn2)C(=O)C2C1C1CCC2C1
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Isomeric SMILES
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O=C1N(CCCCN2CCN(CC2)c2ncccn2)C(=O)[C@@H]2[C@H]1[C@H]1CC[C@@H]2C1
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InChI
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InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-
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InChI Key
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CEIJFEGBUDEYSX-FZDBZEDMSA-N
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