4-chloro-2-{[1-(2-nitrophenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}phenol
Chemical Structure Depiction of
4-chloro-2-{[1-(2-nitrophenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}phenol
4-chloro-2-{[1-(2-nitrophenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}phenol
Compound characteristics
| Compound ID: | V028-2304 |
| Compound Name: | 4-chloro-2-{[1-(2-nitrophenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}phenol |
| Molecular Weight: | 397.86 |
| Molecular Formula: | C21 H20 Cl N3 O3 |
| Salt: | not_available |
| Smiles: | C1CN(Cc2cc(ccc2O)[Cl])C(c2ccccc2[N+]([O-])=O)c2cccn2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5709 |
| logD: | 4.5686 |
| logSw: | -4.5063 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.57 |
| InChI Key: | TZJNGUYAMNYKKM-OAQYLSRUSA-N |