1-(2-nitrophenyl)-2-{[4-(propan-2-yl)phenyl]methyl}-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
1-(2-nitrophenyl)-2-{[4-(propan-2-yl)phenyl]methyl}-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
1-(2-nitrophenyl)-2-{[4-(propan-2-yl)phenyl]methyl}-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V008-4674 |
| Compound Name: | 1-(2-nitrophenyl)-2-{[4-(propan-2-yl)phenyl]methyl}-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 389.5 |
| Molecular Formula: | C24 H27 N3 O2 |
| Smiles: | CC(C)c1ccc(CN2CCCn3cccc3C2c2ccccc2[N+]([O-])=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6686 |
| logD: | 5.6437 |
| logSw: | -5.4918 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.022 |
| InChI Key: | DLZOVIRRLWDBKQ-XMMPIXPASA-N |