2-[(3-chloro-4-fluorophenyl)methyl]-1-(2-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
2-[(3-chloro-4-fluorophenyl)methyl]-1-(2-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
2-[(3-chloro-4-fluorophenyl)methyl]-1-(2-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V002-0485 |
| Compound Name: | 2-[(3-chloro-4-fluorophenyl)methyl]-1-(2-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 399.85 |
| Molecular Formula: | C21 H19 Cl F N3 O2 |
| Smiles: | C1CN(Cc2ccc(c(c2)[Cl])F)C(c2ccccc2[N+]([O-])=O)c2cccn2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9034 |
| logD: | 4.9022 |
| logSw: | -5.1282 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.022 |
| InChI Key: | JSOWXBQQESRFLH-OAQYLSRUSA-N |