2-{[2-(2-fluorophenyl)-6-(hydroxymethyl)-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-{[2-(2-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide
2-{[2-(2-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide
Compound characteristics
| Compound ID: | E544-0436 |
| Compound Name: | 2-{[2-(2-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-methyl-N-phenylacetamide |
| Molecular Weight: | 502.57 |
| Molecular Formula: | C27 H23 F N4 O3 S |
| Smiles: | Cc1c2c(Cc3c(nc(c4ccccc4F)nc3SCC(N(C)c3ccccc3)=O)O2)c(CO)cn1 |
| Stereo: | ACHIRAL |
| logP: | 3.5009 |
| logD: | 3.498 |
| logSw: | -3.785 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.758 |
| InChI Key: | WSLUOOAFPRJBAT-UHFFFAOYSA-N |