1-(3,4-dichlorophenyl)-2-[(2-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
1-(3,4-dichlorophenyl)-2-[(2-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
1-(3,4-dichlorophenyl)-2-[(2-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V002-2807 |
| Compound Name: | 1-(3,4-dichlorophenyl)-2-[(2-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 416.31 |
| Molecular Formula: | C21 H19 Cl2 N3 O2 |
| Salt: | not_available |
| Smiles: | C1CN(Cc2ccccc2[N+]([O-])=O)C(c2ccc(c(c2)[Cl])[Cl])c2cccn2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.973 |
| logD: | 5.9721 |
| logSw: | -6.4457 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.022 |
| InChI Key: | CBLJOIDSGQVKQD-OAQYLSRUSA-N |