methyl 2-{3-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]propanamido}benzoate
Chemical Structure Depiction of
methyl 2-{3-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]propanamido}benzoate
methyl 2-{3-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]propanamido}benzoate
Compound characteristics
| Compound ID: | C071-0167 |
| Compound Name: | methyl 2-{3-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]propanamido}benzoate |
| Molecular Weight: | 499.49 |
| Molecular Formula: | C20 H16 F3 N3 O5 S2 |
| Smiles: | COC(c1ccccc1NC(CCS(c1nc(cc(C(F)(F)F)n1)c1cccs1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4701 |
| logD: | 3.4536 |
| logSw: | -3.9004 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.496 |
| InChI Key: | UUZDXJQFHLQDMC-UHFFFAOYSA-N |