methyl [(7-methyl-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(7-methyl-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
methyl [(7-methyl-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | C683-0055 |
| Compound Name: | methyl [(7-methyl-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetate |
| Molecular Weight: | 378.45 |
| Molecular Formula: | C21 H18 N2 O3 S |
| Smiles: | Cc1ccc2c(Cc3c(nc(c4ccccc4)nc3SCC(=O)OC)O2)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.471 |
| logD: | 5.4679 |
| logSw: | -5.4908 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.981 |
| InChI Key: | UAOKNFZVAFRDTK-UHFFFAOYSA-N |