2-[(3,4-difluorophenyl)methyl]-1-(3-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
2-[(3,4-difluorophenyl)methyl]-1-(3-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
2-[(3,4-difluorophenyl)methyl]-1-(3-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
Compound ID: | V006-4173 |
Compound Name: | 2-[(3,4-difluorophenyl)methyl]-1-(3-nitrophenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
Molecular Weight: | 383.4 |
Molecular Formula: | C21 H19 F2 N3 O2 |
Salt: | not_available |
Smiles: | C1CN(Cc2ccc(c(c2)F)F)C(c2cccc(c2)[N+]([O-])=O)c2cccn2C1 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.6097 |
logD: | 4.6089 |
logSw: | -4.4699 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 39.323 |
InChI Key: | FMTKTFKIYIKYLT-OAQYLSRUSA-N |