2-{[2-(4-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[2-(4-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-phenylacetamide
2-{[2-(4-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | E544-0365 |
| Compound Name: | 2-{[2-(4-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 488.54 |
| Molecular Formula: | C26 H21 F N4 O3 S |
| Smiles: | Cc1c2c(Cc3c(nc(c4ccc(cc4)F)nc3SCC(Nc3ccccc3)=O)O2)c(CO)cn1 |
| Stereo: | ACHIRAL |
| logP: | 4.7651 |
| logD: | 4.7622 |
| logSw: | -4.4499 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.794 |
| InChI Key: | MLDHBQFLBFMLCN-UHFFFAOYSA-N |