2-methoxy-6-{[1-(3-nitrophenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}phenol
Chemical Structure Depiction of
2-methoxy-6-{[1-(3-nitrophenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}phenol
2-methoxy-6-{[1-(3-nitrophenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}phenol
Compound characteristics
| Compound ID: | V009-4990 |
| Compound Name: | 2-methoxy-6-{[1-(3-nitrophenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}phenol |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C22 H23 N3 O4 |
| Salt: | not_available |
| Smiles: | COc1cccc(CN2CCCn3cccc3C2c2cccc(c2)[N+]([O-])=O)c1O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.267 |
| logD: | 4.2159 |
| logSw: | -4.2036 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.433 |
| InChI Key: | SFTYWZCLBVSTNK-OAQYLSRUSA-N |