4-(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
4-(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
4-(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: | E544-0128 |
| Compound Name: | 4-(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(Nc3ccc(cc3)C(O)=O)=O)O2)c(CO)cn1 |
| Stereo: | ACHIRAL |
| logP: | 4.8364 |
| logD: | 2.4412 |
| logSw: | -4.5049 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.746 |
| InChI Key: | XXVMTSWMELRVKR-UHFFFAOYSA-N |