{[2-(4-chlorophenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[2-(4-chlorophenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetic acid
{[2-(4-chlorophenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | C683-0692 |
| Compound Name: | {[2-(4-chlorophenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetic acid |
| Molecular Weight: | 398.87 |
| Molecular Formula: | C20 H15 Cl N2 O3 S |
| Smiles: | Cc1cccc2Cc3c(nc(c4ccc(cc4)[Cl])nc3SCC(O)=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 5.8076 |
| logD: | 2.3425 |
| logSw: | -5.8389 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.47 |
| InChI Key: | APEWGTVSYLKDTQ-UHFFFAOYSA-N |