2-benzyl-1-(3-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
2-benzyl-1-(3-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
2-benzyl-1-(3-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V018-2207 |
| Compound Name: | 2-benzyl-1-(3-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 347.42 |
| Molecular Formula: | C21 H21 N3 O2 |
| Smiles: | C1CN(Cc2ccccc2)C(c2cccc(c2)[N+]([O-])=O)c2cccn2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3843 |
| logD: | 4.3806 |
| logSw: | -4.3633 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.323 |
| InChI Key: | KMZSEZLRCSKILH-OAQYLSRUSA-N |