2-[3-tert-butyl-4-(2,4-difluorophenyl)-1-(3-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Chemical Structure Depiction of
2-[3-tert-butyl-4-(2,4-difluorophenyl)-1-(3-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
2-[3-tert-butyl-4-(2,4-difluorophenyl)-1-(3-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide
Compound characteristics
| Compound ID: | V011-4169 |
| Compound Name: | 2-[3-tert-butyl-4-(2,4-difluorophenyl)-1-(3-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide |
| Molecular Weight: | 484.57 |
| Molecular Formula: | C25 H26 F2 N4 O2 S |
| Smiles: | Cc1cccc(c1)n1c2c(C(c3ccc(cc3F)F)SCC(N2CC(N)=O)=O)c(C(C)(C)C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9318 |
| logD: | 4.9318 |
| logSw: | -4.7787 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.956 |
| InChI Key: | CXJMTWRQTLWICA-JOCHJYFZSA-N |