methyl 2-{[4-(4-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[4-(4-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate
methyl 2-{[4-(4-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G118-1646 |
| Compound Name: | methyl 2-{[4-(4-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C28 H25 N3 O3 |
| Smiles: | Cc1ccc(cc1)C1c2cccn2c2ccccc2CN1C(Nc1ccccc1C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3044 |
| logD: | 6.3043 |
| logSw: | -5.6338 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.047 |
| InChI Key: | DGYVIJVUUBCUNZ-AREMUKBSSA-N |