N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G118-0272 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C27 H24 F N3 O3 |
| Smiles: | COc1ccc(c(c1)NC(N1Cc2ccccc2n2cccc2C1c1ccc(cc1)F)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.869 |
| logD: | 5.869 |
| logSw: | -5.5509 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.047 |
| InChI Key: | MDMRPPIMRBFPKN-AREMUKBSSA-N |