2-{[2-(4-chlorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-phenylacetamide
2-{[2-(4-chlorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | C683-0463 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 459.95 |
| Molecular Formula: | C25 H18 Cl N3 O2 S |
| Smiles: | C1c2ccccc2Oc2c1c(nc(c1ccc(cc1)[Cl])n2)SCC(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0743 |
| logD: | 7.0713 |
| logSw: | -6.5201 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.28 |
| InChI Key: | DRTPKKDMBZALTI-UHFFFAOYSA-N |