2-[3-tert-butyl-4-(2,4-difluorophenyl)-1-methyl-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-methyl-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-methyl-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: | V010-7237 |
| Compound Name: | 2-[3-tert-butyl-4-(2,4-difluorophenyl)-1-methyl-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: | 488.56 |
| Molecular Formula: | C24 H26 F2 N4 O3 S |
| Smiles: | CC(C)(C)c1c2C(c3ccc(cc3F)F)SCC(N(CC(NCc3ccco3)=O)c2n(C)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3608 |
| logD: | 4.3608 |
| logSw: | -4.2931 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.938 |
| InChI Key: | ZDOOMINTBWNZFC-OAQYLSRUSA-N |