2-({4-[3-chloro-4-(propane-2-sulfonyl)thiophene-2-carbonyl]piperazin-1-yl}methyl)-5-[(3-fluorophenyl)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-[(3-fluorophenyl)methoxy]-4H-pyran-4-one
2-({4-[3-chloro-4-(propane-2-sulfonyl)thiophene-2-carbonyl]piperazin-1-yl}methyl)-5-[(3-fluorophenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-3999 |
| Compound Name: | 2-({4-[3-chloro-4-(propane-2-sulfonyl)thiophene-2-carbonyl]piperazin-1-yl}methyl)-5-[(3-fluorophenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 569.07 |
| Molecular Formula: | C25 H26 Cl F N2 O6 S2 |
| Salt: | not_available |
| Smiles: | CC(C)S(c1csc(C(N2CCN(CC2)CC2=CC(C(=CO2)OCc2cccc(c2)F)=O)=O)c1[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.241 |
| logD: | 3.2407 |
| logSw: | -3.8493 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.13 |
| InChI Key: | LPGGLPGJNMCCDP-UHFFFAOYSA-N |