methyl [(9-methyl-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(9-methyl-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
methyl [(9-methyl-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | C683-0791 |
| Compound Name: | methyl [(9-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: | Cc1cccc2Cc3c(nc(c4ccccc4)nc3SCC(=O)OC)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 5.6384 |
| logD: | 5.6354 |
| logSw: | -5.5751 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.665 |
| InChI Key: | JVJPHHZMRQTBKK-UHFFFAOYSA-N |