2-{[2-(4-chlorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
2-{[2-(4-chlorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C683-0482 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 451.97 |
| Molecular Formula: | C24 H22 Cl N3 O2 S |
| Smiles: | C1CCN(CC1)C(CSc1c2Cc3ccccc3Oc2nc(c2ccc(cc2)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5289 |
| logD: | 6.5258 |
| logSw: | -6.4338 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.523 |
| InChI Key: | UNKUTIXFVXOFFJ-UHFFFAOYSA-N |