N-(3-chloro-4-methoxyphenyl)-2-{[6-(hydroxymethyl)-9-methyl-2-phenyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-{[6-(hydroxymethyl)-9-methyl-2-phenyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
N-(3-chloro-4-methoxyphenyl)-2-{[6-(hydroxymethyl)-9-methyl-2-phenyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | E544-0461 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-{[6-(hydroxymethyl)-9-methyl-2-phenyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 535.02 |
| Molecular Formula: | C27 H23 Cl N4 O4 S |
| Smiles: | Cc1c2c(Cc3c(nc(c4ccccc4)nc3SCC(Nc3ccc(c(c3)[Cl])OC)=O)O2)c(CO)cn1 |
| Stereo: | ACHIRAL |
| logP: | 5.3333 |
| logD: | 5.3305 |
| logSw: | -5.6824 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.424 |
| InChI Key: | HVNJJAJRQHTVOO-UHFFFAOYSA-N |