4-{2-[(7-methyl-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}benzoic acid
Chemical Structure Depiction of
4-{2-[(7-methyl-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}benzoic acid
4-{2-[(7-methyl-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}benzoic acid
Compound characteristics
| Compound ID: | C683-0073 |
| Compound Name: | 4-{2-[(7-methyl-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetamido}benzoic acid |
| Molecular Weight: | 483.55 |
| Molecular Formula: | C27 H21 N3 O4 S |
| Smiles: | Cc1ccc2c(Cc3c(nc(c4ccccc4)nc3SCC(Nc3ccc(cc3)C(O)=O)=O)O2)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.6992 |
| logD: | 4.304 |
| logSw: | -5.637 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.688 |
| InChI Key: | KLWFHABIFZDDIZ-UHFFFAOYSA-N |