2-{[7-methyl-2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[7-methyl-2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
2-{[7-methyl-2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C683-0677 |
| Compound Name: | 2-{[7-methyl-2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C26 H27 N3 O2 S |
| Smiles: | Cc1ccc(cc1)c1nc2c(Cc3cc(C)ccc3O2)c(n1)SCC(N1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6423 |
| logD: | 6.6392 |
| logSw: | -5.5429 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.523 |
| InChI Key: | WMJZVONBVYMLSK-UHFFFAOYSA-N |