2-[(2-methoxy-5-nitrophenyl)methyl]-1-(4-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
2-[(2-methoxy-5-nitrophenyl)methyl]-1-(4-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
2-[(2-methoxy-5-nitrophenyl)methyl]-1-(4-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V024-3021 |
| Compound Name: | 2-[(2-methoxy-5-nitrophenyl)methyl]-1-(4-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 422.44 |
| Molecular Formula: | C22 H22 N4 O5 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1CN1CCCn2cccc2C1c1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3171 |
| logD: | 4.3144 |
| logSw: | -4.3345 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.335 |
| InChI Key: | PKKFPXYFWSWRCR-JOCHJYFZSA-N |