methyl [(9-methoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(9-methoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
methyl [(9-methoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | C683-0098 |
| Compound Name: | methyl [(9-methoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)sulfanyl]acetate |
| Molecular Weight: | 394.45 |
| Molecular Formula: | C21 H18 N2 O4 S |
| Smiles: | COC(CSc1c2Cc3cccc(c3Oc2nc(c2ccccc2)n1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.01 |
| logD: | 5.0069 |
| logSw: | -4.8578 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.296 |
| InChI Key: | UBIQJHOZCWOWMR-UHFFFAOYSA-N |