3-{2-[(9-methoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}benzoic acid
Chemical Structure Depiction of
3-{2-[(9-methoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}benzoic acid
3-{2-[(9-methoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}benzoic acid
Compound characteristics
| Compound ID: | C683-0116 |
| Compound Name: | 3-{2-[(9-methoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}benzoic acid |
| Molecular Weight: | 499.54 |
| Molecular Formula: | C27 H21 N3 O5 S |
| Smiles: | COc1cccc2Cc3c(nc(c4ccccc4)nc3SCC(Nc3cccc(c3)C(O)=O)=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 6.5139 |
| logD: | 3.6281 |
| logSw: | -5.6825 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.003 |
| InChI Key: | KEFQZMMINRJCSO-UHFFFAOYSA-N |