2-{[2-(4-chlorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide
2-{[2-(4-chlorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide
Compound characteristics
| Compound ID: | E544-0303 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide |
| Molecular Weight: | 485 |
| Molecular Formula: | C24 H25 Cl N4 O3 S |
| Smiles: | CCN(CC)C(CSc1c2Cc3c(CO)cnc(C)c3Oc2nc(c2ccc(cc2)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6659 |
| logD: | 4.663 |
| logSw: | -4.8002 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.321 |
| InChI Key: | RFENNEYDGYWWFR-UHFFFAOYSA-N |