methyl 3-{[4-(3,5-difluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[4-(3,5-difluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate
methyl 3-{[4-(3,5-difluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G118-1400 |
| Compound Name: | methyl 3-{[4-(3,5-difluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl]amino}benzoate |
| Molecular Weight: | 473.48 |
| Molecular Formula: | C27 H21 F2 N3 O3 |
| Smiles: | COC(c1cccc(c1)NC(N1Cc2ccccc2n2cccc2C1c1cc(cc(c1)F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2573 |
| logD: | 6.2573 |
| logSw: | -5.58 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.745 |
| InChI Key: | MEKPLRWANMZTAX-RUZDIDTESA-N |