2-ethoxy-4-{[1-(4-nitrophenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}phenol
Chemical Structure Depiction of
2-ethoxy-4-{[1-(4-nitrophenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}phenol
2-ethoxy-4-{[1-(4-nitrophenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}phenol
Compound characteristics
| Compound ID: | V002-0517 |
| Compound Name: | 2-ethoxy-4-{[1-(4-nitrophenyl)-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]methyl}phenol |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C23 H25 N3 O4 |
| Salt: | not_available |
| Smiles: | CCOc1cc(CN2CCCn3cccc3C2c2ccc(cc2)[N+]([O-])=O)ccc1O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1125 |
| logD: | 3.8859 |
| logSw: | -3.7974 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.082 |
| InChI Key: | SYJAFFKGHVIODX-HSZRJFAPSA-N |