methyl {[2-(4-methoxyphenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[2-(4-methoxyphenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetate
methyl {[2-(4-methoxyphenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | C683-0282 |
| Compound Name: | methyl {[2-(4-methoxyphenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetate |
| Molecular Weight: | 408.47 |
| Molecular Formula: | C22 H20 N2 O4 S |
| Smiles: | Cc1ccc2c(Cc3c(nc(c4ccc(cc4)OC)nc3SCC(=O)OC)O2)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5584 |
| logD: | 5.5554 |
| logSw: | -5.4233 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.525 |
| InChI Key: | YDBHLGKWVJBTQA-UHFFFAOYSA-N |