2-[(2-chloro-5-nitrophenyl)methyl]-1-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
2-[(2-chloro-5-nitrophenyl)methyl]-1-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
2-[(2-chloro-5-nitrophenyl)methyl]-1-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V023-9459 |
| Compound Name: | 2-[(2-chloro-5-nitrophenyl)methyl]-1-(4-fluorophenyl)-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 |
| Salt: | not_available |
| Smiles: | C1CN(Cc2cc(ccc2[Cl])[N+]([O-])=O)C(c2ccc(cc2)F)c2cccn2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0312 |
| logD: | 5.0308 |
| logSw: | -5.5154 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.323 |
| InChI Key: | MUDJRCZDNQUKOY-OAQYLSRUSA-N |