2-{[2-(3-chlorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methylphenyl)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-methylphenyl)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-methylphenyl)acetamide
Compound characteristics
| Compound ID: | E544-0231 |
| 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-methylphenyl)acetamide |
| Molecular Weight: | 519.02 |
| Molecular Formula: | C27 H23 Cl N4 O3 S |
| Smiles: | Cc1ccc(cc1)NC(CSc1c2Cc3c(CO)cnc(C)c3Oc2nc(c2cccc(c2)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0122 |
| logD: | 6.0093 |
| logSw: | -5.9913 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.794 |
| InChI Key: | NQMKNTNVHKIZFB-UHFFFAOYSA-N |