methyl N-phenyl-N-{5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonyl}-beta-alaninate
Chemical Structure Depiction of
methyl N-phenyl-N-{5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonyl}-beta-alaninate
methyl N-phenyl-N-{5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonyl}-beta-alaninate
Compound characteristics
| Compound ID: | G008-3269 |
| Compound Name: | methyl N-phenyl-N-{5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonyl}-beta-alaninate |
| Molecular Weight: | 460.45 |
| Molecular Formula: | C18 H15 F3 N2 O5 S2 |
| Smiles: | COC(CCN(c1ccccc1)S(c1ccc(c2cc(C(F)(F)F)on2)s1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1389 |
| logD: | 4.1389 |
| logSw: | -4.2587 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.175 |
| InChI Key: | HASMMGSIPIDKQW-UHFFFAOYSA-N |