2-{[4-(4-chlorophenyl)-6-fluoro-2-hydroxyquinolin-3-yl]sulfanyl}-6-methyl-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[4-(4-chlorophenyl)-6-fluoro-2-hydroxyquinolin-3-yl]sulfanyl}-6-methyl-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one
2-{[4-(4-chlorophenyl)-6-fluoro-2-hydroxyquinolin-3-yl]sulfanyl}-6-methyl-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 5236-0084 |
| Compound Name: | 2-{[4-(4-chlorophenyl)-6-fluoro-2-hydroxyquinolin-3-yl]sulfanyl}-6-methyl-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one |
| Molecular Weight: | 453.92 |
| Molecular Formula: | C23 H17 Cl F N3 O2 S |
| Smiles: | CC1=C(CC=C)C(NC(=N1)Sc1c(c2ccc(cc2)[Cl])c2cc(ccc2nc1O)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2133 |
| logD: | 4.8607 |
| logSw: | -5.5804 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.172 |
| InChI Key: | XGTMKAUTLAOBRO-UHFFFAOYSA-N |