2-{[2-(2-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-(2-chlorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide
2-{[2-(2-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: | E544-0213 |
| Compound Name: | 2-{[2-(2-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(c2ccccc2[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6623 |
| logD: | 3.6594 |
| logSw: | -3.863 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.321 |
| InChI Key: | GMRAGBVWHMEWAR-UHFFFAOYSA-N |