1-(2-methylphenyl)-2-[(2-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
1-(2-methylphenyl)-2-[(2-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
1-(2-methylphenyl)-2-[(2-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V028-3589 |
| Compound Name: | 1-(2-methylphenyl)-2-[(2-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 361.44 |
| Molecular Formula: | C22 H23 N3 O2 |
| Smiles: | Cc1ccccc1C1c2cccn2CCCN1Cc1ccccc1[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9365 |
| logD: | 4.932 |
| logSw: | -4.6084 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.022 |
| InChI Key: | YAJXBPLDNVAAIS-JOCHJYFZSA-N |