2-[(2-methoxy-5-nitrophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-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-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
2-[(2-methoxy-5-nitrophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V004-8710 |
| Compound Name: | 2-[(2-methoxy-5-nitrophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 445.44 |
| Molecular Formula: | C23 H22 F3 N3 O3 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1CN1CCCn2cccc2C1c1ccc(cc1)C(F)(F)F)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2642 |
| logD: | 5.2508 |
| logSw: | -5.2624 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.954 |
| InChI Key: | BLPAAGCQKUOYQC-JOCHJYFZSA-N |