methyl 3-{[4-(3,4-dimethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[4-(3,4-dimethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate
methyl 3-{[4-(3,4-dimethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G118-1539 |
| Compound Name: | methyl 3-{[4-(3,4-dimethoxyphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate |
| Molecular Weight: | 497.55 |
| Molecular Formula: | C29 H27 N3 O5 |
| Smiles: | COC(c1cccc(c1)NC(N1Cc2ccccc2n2cccc2C1c1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6944 |
| logD: | 5.6944 |
| logSw: | -5.5393 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.006 |
| InChI Key: | QWMBOJDBKKRKPA-HHHXNRCGSA-N |