1-[4-(4-{2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl}piperazin-1-yl)phenyl]ethan-1-one
Chemical Structure Depiction of
1-[4-(4-{2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl}piperazin-1-yl)phenyl]ethan-1-one
1-[4-(4-{2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl}piperazin-1-yl)phenyl]ethan-1-one
Compound characteristics
| Compound ID: | M089-0116 |
| Compound Name: | 1-[4-(4-{2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonyl}piperazin-1-yl)phenyl]ethan-1-one |
| Molecular Weight: | 498.54 |
| Molecular Formula: | C21 H21 F3 N4 O3 S2 |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)S(c1cc(c2cc(C(F)(F)F)[nH]n2)sc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1485 |
| logD: | 4.1413 |
| logSw: | -4.1575 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.545 |
| InChI Key: | GELROOWBJKKSED-UHFFFAOYSA-N |