2-{[2-(4-chlorophenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
2-{[2-(4-chlorophenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | C683-0703 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 491.97 |
| Molecular Formula: | C26 H19 Cl F N3 O2 S |
| Smiles: | Cc1cccc2Cc3c(nc(c4ccc(cc4)[Cl])nc3SCC(Nc3ccc(cc3)F)=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 7.7473 |
| logD: | 7.7442 |
| logSw: | -6.5094 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.964 |
| InChI Key: | BHVVJXFBDUZGCH-UHFFFAOYSA-N |