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-[(furan-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-[(furan-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-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V030-6091 |
| 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-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 550.63 |
| Molecular Formula: | C29 H28 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: | RACEMIC MIXTURE |
| logP: | 5.5777 |
| logD: | 5.5777 |
| logSw: | -5.4013 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.212 |
| InChI Key: | YFAGRYXDKSEQHT-HHHXNRCGSA-N |