N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-3-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]propanamide
Chemical Structure Depiction of
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-3-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]propanamide
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-3-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]propanamide
Compound characteristics
| Compound ID: | D216-0473 |
| Compound Name: | N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-3-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]propanamide |
| Molecular Weight: | 527.5 |
| Molecular Formula: | C21 H16 F3 N3 O6 S2 |
| Smiles: | CC(c1cc2c(cc1NC(CCS(c1nc(cc(C(F)(F)F)n1)c1cccs1)(=O)=O)=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1713 |
| logD: | 3.1144 |
| logSw: | -3.5109 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.265 |
| InChI Key: | FDYMUDZCRJTRBX-UHFFFAOYSA-N |