2-{[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanyl}-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)acetamide
Chemical Structure Depiction of
2-{[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanyl}-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)acetamide
2-{[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanyl}-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)acetamide
Compound characteristics
| Compound ID: | Y502-7672 |
| Compound Name: | 2-{[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanyl}-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)acetamide |
| Molecular Weight: | 421.45 |
| Molecular Formula: | C22 H16 F N3 O3 S |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)NC(CSc1nccc(c2ccc(cc2)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1651 |
| logD: | 4.1649 |
| logSw: | -4.3392 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.977 |
| InChI Key: | ZLJQUTFZXKFZLP-UHFFFAOYSA-N |