1-(3,4-dimethoxyphenyl)-2-[(4-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
1-(3,4-dimethoxyphenyl)-2-[(4-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
1-(3,4-dimethoxyphenyl)-2-[(4-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V022-2916 |
| Compound Name: | 1-(3,4-dimethoxyphenyl)-2-[(4-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C23 H25 N3 O4 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1OC)C1c2cccn2CCCN1Cc1ccc(cc1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1002 |
| logD: | 3.8749 |
| logSw: | -4.2408 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.584 |
| InChI Key: | PTXCSZLAZZUAJU-HSZRJFAPSA-N |