3-(2-{[7-methyl-2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoic acid
Chemical Structure Depiction of
3-(2-{[7-methyl-2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoic acid
3-(2-{[7-methyl-2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoic acid
Compound characteristics
Compound ID: | C683-0664 |
Compound Name: | 3-(2-{[7-methyl-2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoic acid |
Molecular Weight: | 497.57 |
Molecular Formula: | C28 H23 N3 O4 S |
Smiles: | Cc1ccc(cc1)c1nc2c(Cc3cc(C)ccc3O2)c(n1)SCC(Nc1cccc(c1)C(O)=O)=O |
Stereo: | ACHIRAL |
logP: | 7.5033 |
logD: | 4.6175 |
logSw: | -5.6057 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 77.688 |
InChI Key: | JHMZLMJWUPVYKX-UHFFFAOYSA-N |