2-{[2-(3-chlorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[2-(3-chlorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
2-{[2-(3-chlorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | E544-0242 |
| Compound Name: | 2-{[2-(3-chlorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 535.02 |
| Molecular Formula: | C27 H23 Cl N4 O4 S |
| Smiles: | Cc1c2c(Cc3c(nc(c4cccc(c4)[Cl])nc3SCC(Nc3ccc(cc3)OC)=O)O2)c(CO)cn1 |
| Stereo: | ACHIRAL |
| logP: | 5.5712 |
| logD: | 5.5683 |
| logSw: | -5.7661 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.338 |
| InChI Key: | RKHJVDSWYDYUOL-UHFFFAOYSA-N |