2-[3-tert-butyl-1-(2,4-dimethylphenyl)-4-(2-fluorophenyl)-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-1-(2,4-dimethylphenyl)-4-(2-fluorophenyl)-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-1-(2,4-dimethylphenyl)-4-(2-fluorophenyl)-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: | V027-1580 |
| Compound Name: | 2-[3-tert-butyl-1-(2,4-dimethylphenyl)-4-(2-fluorophenyl)-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: | 560.69 |
| Molecular Formula: | C31 H33 F N4 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(c(C)c1)n1c2c(C(c3ccccc3F)SCC(N2CC(NCc2ccco2)=O)=O)c(C(C)(C)C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0751 |
| logD: | 7.0751 |
| logSw: | -5.5777 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.216 |
| InChI Key: | RGNNCEGJUJMMIB-MUUNZHRXSA-N |