2-[1-tert-butyl-4-(2,4-difluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[1-tert-butyl-4-(2,4-difluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide
2-[1-tert-butyl-4-(2,4-difluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V027-4555 |
| Compound Name: | 2-[1-tert-butyl-4-(2,4-difluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 554.66 |
| Molecular Formula: | C29 H32 F2 N4 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)n1c2c(C(c3ccc(cc3F)F)SCC(N2CC(NCC2CCCO2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2825 |
| logD: | 4.2825 |
| logSw: | -4.2382 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.117 |
| InChI Key: | BNDTVJRLCDHAQL-UHFFFAOYSA-N |