2-[3-tert-butyl-4-(2,4-difluorophenyl)-1-(2,4-dimethylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[3-tert-butyl-4-(2,4-difluorophenyl)-1-(2,4-dimethylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
2-[3-tert-butyl-4-(2,4-difluorophenyl)-1-(2,4-dimethylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V012-0276 |
| Compound Name: | 2-[3-tert-butyl-4-(2,4-difluorophenyl)-1-(2,4-dimethylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 578.68 |
| Molecular Formula: | C31 H32 F2 N4 O3 S |
| Smiles: | Cc1ccc(c(C)c1)n1c2c(C(c3ccc(cc3F)F)SCC(N2CC(NCc2ccco2)=O)=O)c(C(C)(C)C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2226 |
| logD: | 7.2226 |
| logSw: | -5.5439 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.216 |
| InChI Key: | QDFGJEAJVJRPKF-MUUNZHRXSA-N |