N-{4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Chemical Structure Depiction of
N-{4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
N-{4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
Compound characteristics
Compound ID: | G217-1103 |
Compound Name: | N-{4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]phenyl}-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide |
Molecular Weight: | 463.96 |
Molecular Formula: | C26 H26 Cl N3 O3 |
Smiles: | COc1ccc(cc1NC(Cc1ccc(cc1)NC(N1CCCCc2ccccc12)=O)=O)[Cl] |
Stereo: | ACHIRAL |
logP: | 5.3384 |
logD: | 5.3203 |
logSw: | -5.6867 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 54.514 |
InChI Key: | IGPNGGMDLYOAPQ-UHFFFAOYSA-N |