methyl 4-chloro-2-{[4-(thiophen-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-{[4-(thiophen-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate
methyl 4-chloro-2-{[4-(thiophen-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G118-1047 |
| Compound Name: | methyl 4-chloro-2-{[4-(thiophen-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate |
| Molecular Weight: | 477.97 |
| Molecular Formula: | C25 H20 Cl N3 O3 S |
| Smiles: | COC(c1ccc(cc1NC(N1Cc2ccccc2n2cccc2C1c1cccs1)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0001 |
| logD: | 5.986 |
| logSw: | -5.9669 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.065 |
| InChI Key: | MFTFBGUDEWZPDL-QHCPKHFHSA-N |