1-(2,3-difluorophenyl)-2-[(2-methoxy-5-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Chemical Structure Depiction of
1-(2,3-difluorophenyl)-2-[(2-methoxy-5-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
1-(2,3-difluorophenyl)-2-[(2-methoxy-5-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Compound characteristics
| Compound ID: | V028-5128 |
| Compound Name: | 1-(2,3-difluorophenyl)-2-[(2-methoxy-5-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine |
| Molecular Weight: | 413.42 |
| Molecular Formula: | C22 H21 F2 N3 O3 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1CN1CCCn2cccc2C1c1cccc(c1F)F)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7307 |
| logD: | 4.7298 |
| logSw: | -4.6469 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.954 |
| InChI Key: | LZPWJHBMYRMDJD-JOCHJYFZSA-N |