2-[3-tert-butyl-4-(2-chlorophenyl)-1-(4-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-[3-tert-butyl-4-(2-chlorophenyl)-1-(4-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[3-tert-butyl-4-(2-chlorophenyl)-1-(4-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | V030-7795 |
| Compound Name: | 2-[3-tert-butyl-4-(2-chlorophenyl)-1-(4-fluorophenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 595.11 |
| Molecular Formula: | C31 H29 Cl F2 N4 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1c2C(c3ccccc3[Cl])SCC(N(CC(NCc3ccc(cc3)F)=O)c2n(c2ccc(cc2)F)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7239 |
| logD: | 6.7239 |
| logSw: | -6.2023 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.768 |
| InChI Key: | OPDQIAUHOWMKBP-MUUNZHRXSA-N |