1-(3-nitrophenyl)-2-[(4-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
1-(3-nitrophenyl)-2-[(4-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
1-(3-nitrophenyl)-2-[(4-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V018-2195 |
| Compound Name: | 1-(3-nitrophenyl)-2-[(4-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 392.41 |
| Molecular Formula: | C21 H20 N4 O4 |
| Salt: | not_available |
| Smiles: | C1CN(Cc2ccc(cc2)[N+]([O-])=O)C(c2cccc(c2)[N+]([O-])=O)c2cccn2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3099 |
| logD: | 4.3074 |
| logSw: | -4.3364 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.705 |
| InChI Key: | RGXQGDLPXPWSLV-OAQYLSRUSA-N |