2-[3-tert-butyl-4-(2,4-difluorophenyl)-1-(4-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
Chemical Structure Depiction of
2-[3-tert-butyl-4-(2,4-difluorophenyl)-1-(4-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
2-[3-tert-butyl-4-(2,4-difluorophenyl)-1-(4-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide
Compound characteristics
| Compound ID: | V020-6141 |
| Compound Name: | 2-[3-tert-butyl-4-(2,4-difluorophenyl)-1-(4-methylphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-propylacetamide |
| Molecular Weight: | 526.65 |
| Molecular Formula: | C28 H32 F2 N4 O2 S |
| Smiles: | CCCNC(CN1C(CSC(c2ccc(cc2F)F)c2c(C(C)(C)C)nn(c3ccc(C)cc3)c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8623 |
| logD: | 5.8623 |
| logSw: | -5.3808 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.881 |
| InChI Key: | BIQZMHLGPHYCPF-RUZDIDTESA-N |