1-[4-(4-{2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonyl}piperazin-1-yl)phenyl]ethan-1-one
Chemical Structure Depiction of
1-[4-(4-{2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonyl}piperazin-1-yl)phenyl]ethan-1-one
1-[4-(4-{2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonyl}piperazin-1-yl)phenyl]ethan-1-one
Compound characteristics
| Compound ID: | M088-0116 |
| Compound Name: | 1-[4-(4-{2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonyl}piperazin-1-yl)phenyl]ethan-1-one |
| Molecular Weight: | 499.53 |
| Molecular Formula: | C21 H20 F3 N3 O4 S2 |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)S(c1cc(c2cc(C(F)(F)F)on2)sc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.29 |
| logD: | 4.29 |
| logSw: | -4.2524 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.59 |
| InChI Key: | ZVKATXWSWYKSBR-UHFFFAOYSA-N |