2-{[6-(hydroxymethyl)-2-(3-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide
Chemical Structure Depiction of
2-{[6-(hydroxymethyl)-2-(3-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide
2-{[6-(hydroxymethyl)-2-(3-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide
Compound characteristics
| Compound ID: | E544-0121 |
| Compound Name: | 2-{[6-(hydroxymethyl)-2-(3-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide |
| Molecular Weight: | 514.6 |
| Molecular Formula: | C28 H26 N4 O4 S |
| Smiles: | Cc1c2c(Cc3c(nc(c4cccc(c4)OC)nc3SCC(N(C)c3ccccc3)=O)O2)c(CO)cn1 |
| Stereo: | ACHIRAL |
| logP: | 4.4298 |
| logD: | 4.4269 |
| logSw: | -4.5543 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.301 |
| InChI Key: | XRYJUJRHJQNUPL-UHFFFAOYSA-N |