2-{[7-methyl-2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[7-methyl-2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methylphenyl)acetamide
2-{[7-methyl-2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | C683-0651 |
| Compound Name: | 2-{[7-methyl-2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 467.59 |
| Molecular Formula: | C28 H25 N3 O2 S |
| Smiles: | Cc1ccc(cc1)c1nc2c(Cc3cc(C)ccc3O2)c(n1)SCC(Nc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.8028 |
| logD: | 7.7997 |
| logSw: | -5.6302 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.28 |
| InChI Key: | TXFNXWMRWPYZMO-UHFFFAOYSA-N |