methyl 4-chloro-2-[(4-methyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-[(4-methyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl)amino]benzoate
methyl 4-chloro-2-[(4-methyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | G118-0871 |
| Compound Name: | methyl 4-chloro-2-[(4-methyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl)amino]benzoate |
| Molecular Weight: | 409.87 |
| Molecular Formula: | C22 H20 Cl N3 O3 |
| Smiles: | CC1c2cccn2c2ccccc2CN1C(Nc1cc(ccc1C(=O)OC)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8922 |
| logD: | 4.8751 |
| logSw: | -4.8385 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.91 |
| InChI Key: | IPMGXZXHDNMPKC-AWEZNQCLSA-N |