4-(2-{[2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoic acid
Chemical Structure Depiction of
4-(2-{[2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoic acid
4-(2-{[2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoic acid
Compound characteristics
| Compound ID: | C683-0265 |
| Compound Name: | 4-(2-{[2-(4-methoxyphenyl)-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: | COc1ccc(cc1)c1nc2c(Cc3ccccc3O2)c(n1)SCC(Nc1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5019 |
| logD: | 4.1067 |
| logSw: | -5.7544 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.232 |
| InChI Key: | YGBXTZKBVATPOP-UHFFFAOYSA-N |