N-[(3-methoxyphenyl)methyl]-4-(thiophen-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-4-(thiophen-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-[(3-methoxyphenyl)methyl]-4-(thiophen-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-1071 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-4-(thiophen-2-yl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C25 H23 N3 O2 S |
| Smiles: | COc1cccc(CNC(N2Cc3ccccc3n3cccc3C2c2cccs2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2445 |
| logD: | 5.2445 |
| logSw: | -5.072 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.455 |
| InChI Key: | IEJTZRRRCLJXGC-DEOSSOPVSA-N |