2-{[2-(3-chlorophenyl)-6-(hydroxymethyl)-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-{[2-(3-chlorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]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-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | E544-0456 |
| 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-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 547.08 |
| Molecular Formula: | C29 H27 Cl N4 O3 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CSc1c2Cc3c(CO)cnc(C)c3Oc2nc(c2cccc(c2)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.927 |
| logD: | 6.9241 |
| logSw: | -6.34 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.794 |
| InChI Key: | ITFKMZLTIOYIOY-UHFFFAOYSA-N |