5-chloro-2-[(prop-2-en-1-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-[(prop-2-en-1-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
5-chloro-2-[(prop-2-en-1-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0139 |
| Compound Name: | 5-chloro-2-[(prop-2-en-1-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 373.78 |
| Molecular Formula: | C15 H11 Cl F3 N3 O S |
| Smiles: | [H]N(C(c1c(cnc(n1)SCC=C)[Cl])=O)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.0402 |
| logD: | 4.8249 |
| logSw: | -5.3648 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.915 |
| InChI Key: | GDMBHTGLIIRUTL-UHFFFAOYSA-N |