2-{[6-(hydroxymethyl)-2-(3-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-{[6-(hydroxymethyl)-2-(3-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
2-{[6-(hydroxymethyl)-2-(3-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | E544-0453 |
| Compound Name: | 2-{[6-(hydroxymethyl)-2-(3-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 542.66 |
| Molecular Formula: | C30 H30 N4 O4 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CSc1c2Cc3c(CO)cnc(C)c3Oc2nc(c2cccc(c2)OC)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3264 |
| logD: | 6.3235 |
| logSw: | -5.4835 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.338 |
| InChI Key: | DEAGGALKSNGZHT-UHFFFAOYSA-N |