2-[(4-ethoxyphenyl)methyl]-1-(4-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
2-[(4-ethoxyphenyl)methyl]-1-(4-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
2-[(4-ethoxyphenyl)methyl]-1-(4-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V028-9782 |
| Compound Name: | 2-[(4-ethoxyphenyl)methyl]-1-(4-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C23 H25 N3 O3 |
| Smiles: | CCOc1ccc(CN2CCCn3cccc3C2c2ccc(cc2)[N+]([O-])=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8065 |
| logD: | 4.7961 |
| logSw: | -4.3784 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.447 |
| InChI Key: | FUXIXUUIGQQZCZ-HSZRJFAPSA-N |