N-(4-chlorophenyl)-2-{[2-(4-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-{[2-(4-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
N-(4-chlorophenyl)-2-{[2-(4-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | E544-0380 |
| Compound Name: | N-(4-chlorophenyl)-2-{[2-(4-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 522.98 |
| Molecular Formula: | C26 H20 Cl F N4 O3 S |
| Smiles: | Cc1c2c(Cc3c(nc(c4ccc(cc4)F)nc3SCC(Nc3ccc(cc3)[Cl])=O)O2)c(CO)cn1 |
| Stereo: | ACHIRAL |
| logP: | 5.5516 |
| logD: | 5.5487 |
| logSw: | -5.8941 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.794 |
| InChI Key: | CTFOFDRVFNYIRQ-UHFFFAOYSA-N |