2-({4-[3-chloro-4-(propane-2-sulfonyl)thiophene-2-carbonyl]piperazin-1-yl}methyl)-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
Chemical Structure Depiction of
2-({4-[3-chloro-4-(propane-2-sulfonyl)thiophene-2-carbonyl]piperazin-1-yl}methyl)-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
2-({4-[3-chloro-4-(propane-2-sulfonyl)thiophene-2-carbonyl]piperazin-1-yl}methyl)-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V006-9772 |
| Compound Name: | 2-({4-[3-chloro-4-(propane-2-sulfonyl)thiophene-2-carbonyl]piperazin-1-yl}methyl)-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one |
| Molecular Weight: | 619.08 |
| Molecular Formula: | C26 H26 Cl F3 N2 O6 S2 |
| Salt: | not_available |
| Smiles: | CC(C)S(c1csc(C(N2CCN(CC2)CC2=CC(C(=CO2)OCc2ccc(cc2)C(F)(F)F)=O)=O)c1[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9417 |
| logD: | 3.9413 |
| logSw: | -4.4797 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.13 |
| InChI Key: | XTOMPVBTZHSEAN-UHFFFAOYSA-N |