N-(3-chloro-4-fluorophenyl)-2-{[2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-{[2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
N-(3-chloro-4-fluorophenyl)-2-{[2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C683-0552 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{[2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 491.97 |
| Molecular Formula: | C26 H19 Cl F N3 O2 S |
| Smiles: | Cc1ccc(cc1)c1nc2c(Cc3ccccc3O2)c(n1)SCC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 7.8249 |
| logD: | 7.8157 |
| logSw: | -6.4189 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.28 |
| InChI Key: | SXLBSWCMUYEVIR-UHFFFAOYSA-N |