2-{[2-(4-fluorophenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[2-(4-fluorophenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
2-{[2-(4-fluorophenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C683-0639 |
| Compound Name: | 2-{[2-(4-fluorophenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C25 H24 F N3 O2 S |
| Smiles: | Cc1ccc2c(Cc3c(nc(c4ccc(cc4)F)nc3SCC(N3CCCCC3)=O)O2)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.2479 |
| logD: | 6.2449 |
| logSw: | -5.3976 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.523 |
| InChI Key: | PDADVODXXPVRIC-UHFFFAOYSA-N |