N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-2-{[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-2-{[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-2-{[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y503-1457 |
| Compound Name: | N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-2-{[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 395.36 |
| Molecular Formula: | C17 H12 F3 N3 O3 S |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)NC(CSc1nccc(C(F)(F)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0487 |
| logD: | 3.0485 |
| logSw: | -3.583 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.249 |
| InChI Key: | RMROMWSCWKOVSM-UHFFFAOYSA-N |