2-{[9-methyl-2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[9-methyl-2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-phenylacetamide
2-{[9-methyl-2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | C683-0748 |
| Compound Name: | 2-{[9-methyl-2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C27 H23 N3 O2 S |
| Smiles: | Cc1ccc(cc1)c1nc2c(Cc3cccc(C)c3O2)c(n1)SCC(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.3551 |
| logD: | 7.3521 |
| logSw: | -5.8016 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.964 |
| InChI Key: | NHNHHFZWGQRDGB-UHFFFAOYSA-N |