Synonyms: cyamepromazine | RP-7204
|
|
2D Structure
|
|
Physico-chemical Properties
|
|
Hydrogen bond acceptors
|
3
|
Hydrogen bond donors
|
0
|
Rotatable bonds
|
4
|
Topological polar surface area
|
55.57
|
Molecular weight
|
323.15
|
XLogP
|
4.32
|
No. Lipinski's rules broken
|
0
|
Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
|
SMILES / InChI / InChIKey
|
|
Canonical SMILES
|
N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1
|
Isomeric SMILES
|
N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1
|
InChI
|
InChI=1S/C19H21N3S/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)23-19-9-8-15(11-20)10-17(19)22/h4-10,14H,12-13H2,1-3H3
|
InChI Key
|
SLFGIOIONGJGRT-UHFFFAOYSA-N
|
Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
|
|