N-(5-chloro-2-methoxyphenyl)-4-(thiophen-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-4-(thiophen-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-(5-chloro-2-methoxyphenyl)-4-(thiophen-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
Compound ID: | G118-1022 |
Compound Name: | N-(5-chloro-2-methoxyphenyl)-4-(thiophen-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
Molecular Weight: | 449.96 |
Molecular Formula: | C24 H20 Cl N3 O2 S |
Smiles: | COc1ccc(cc1NC(N1Cc2ccccc2n2cccc2C1c1cccs1)=O)[Cl] |
Stereo: | RACEMIC MIXTURE |
logP: | 6.0336 |
logD: | 6.0335 |
logSw: | -6.0155 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 34.522 |
InChI Key: | YSZAXVFTFMNFMY-QHCPKHFHSA-N |