2-[4-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-[4-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[4-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | V028-1951 |
| Compound Name: | 2-[4-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 626.7 |
| Molecular Formula: | C35 H29 F3 N4 O2 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1C)n1c2c(C(c3ccc(cc3F)F)SCC(N2CC(NCc2ccc(cc2)F)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.3034 |
| logD: | 7.3034 |
| logSw: | -5.6599 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.195 |
| InChI Key: | NAYKBXLVOIVUBK-UUWRZZSWSA-N |