methyl [(9-ethoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(9-ethoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
methyl [(9-ethoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | C683-0132 |
| Compound Name: | methyl [(9-ethoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetate |
| Molecular Weight: | 408.47 |
| Molecular Formula: | C22 H20 N2 O4 S |
| Smiles: | CCOc1cccc2Cc3c(nc(c4ccccc4)nc3SCC(=O)OC)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 5.5275 |
| logD: | 5.5244 |
| logSw: | -5.5436 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.876 |
| InChI Key: | SREWVSJDHBWCEV-UHFFFAOYSA-N |