3-(2-{[6-(hydroxymethyl)-2-(3-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoic acid
Chemical Structure Depiction of
3-(2-{[6-(hydroxymethyl)-2-(3-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoic acid
3-(2-{[6-(hydroxymethyl)-2-(3-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoic acid
Compound characteristics
| Compound ID: | E544-0129 |
| Compound Name: | 3-(2-{[6-(hydroxymethyl)-2-(3-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoic acid |
| Molecular Weight: | 544.59 |
| Molecular Formula: | C28 H24 N4 O6 S |
| Smiles: | Cc1c2c(Cc3c(nc(c4cccc(c4)OC)nc3SCC(Nc3cccc(c3)C(O)=O)=O)O2)c(CO)cn1 |
| Stereo: | ACHIRAL |
| logP: | 5.1121 |
| logD: | 2.2263 |
| logSw: | -4.8148 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.746 |
| InChI Key: | SSBCLZXCGLDUOY-UHFFFAOYSA-N |