2-[1-(2-chlorophenyl)-4-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(propan-2-yl)acetamide
Chemical Structure Depiction of
2-[1-(2-chlorophenyl)-4-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(propan-2-yl)acetamide
2-[1-(2-chlorophenyl)-4-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | V027-4564 |
| Compound Name: | 2-[1-(2-chlorophenyl)-4-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(propan-2-yl)acetamide |
| Molecular Weight: | 549.07 |
| Molecular Formula: | C29 H26 Cl F N4 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)NC(CN1C(CSC(c2ccc(cc2)F)c2c(c3ccccc3)nn(c3ccccc3[Cl])c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6815 |
| logD: | 5.6815 |
| logSw: | -5.9165 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.441 |
| InChI Key: | HTUNSCMUTGOZBM-MUUNZHRXSA-N |