2-{[1-(4-nitrophenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}phenol
Chemical Structure Depiction of
2-{[1-(4-nitrophenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}phenol
2-{[1-(4-nitrophenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}phenol
Compound characteristics
| Compound ID: | V019-0925 |
| Compound Name: | 2-{[1-(4-nitrophenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}phenol |
| Molecular Weight: | 363.41 |
| Molecular Formula: | C21 H21 N3 O3 |
| Smiles: | C1CN(Cc2ccccc2O)C(c2ccc(cc2)[N+]([O-])=O)c2cccn2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1298 |
| logD: | 4.1196 |
| logSw: | -3.7636 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.871 |
| InChI Key: | QDWHGGUQEIOLEJ-OAQYLSRUSA-N |