N-(2-ethylphenyl)-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-(2-ethylphenyl)-2-{[6-(hydroxymethyl)-9-methyl-2-phenyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
N-(2-ethylphenyl)-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: | E544-0029 |
| Compound Name: | N-(2-ethylphenyl)-2-{[6-(hydroxymethyl)-9-methyl-2-phenyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C28 H26 N4 O3 S |
| Smiles: | CCc1ccccc1NC(CSc1c2Cc3c(CO)cnc(C)c3Oc2nc(c2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3223 |
| logD: | 5.3194 |
| logSw: | -5.1233 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.096 |
| InChI Key: | PJIGAALCCXCNQV-UHFFFAOYSA-N |