4-(benzylsulfanyl)-2-(4-ethoxyphenyl)-9-methoxy-5H-[1]benzopyrano[2,3-d]pyrimidine
Chemical Structure Depiction of
4-(benzylsulfanyl)-2-(4-ethoxyphenyl)-9-methoxy-5H-[1]benzopyrano[2,3-d]pyrimidine
4-(benzylsulfanyl)-2-(4-ethoxyphenyl)-9-methoxy-5H-[1]benzopyrano[2,3-d]pyrimidine
Compound characteristics
| Compound ID: | C683-0408 |
| Compound Name: | 4-(benzylsulfanyl)-2-(4-ethoxyphenyl)-9-methoxy-5H-[1]benzopyrano[2,3-d]pyrimidine |
| Molecular Weight: | 456.56 |
| Molecular Formula: | C27 H24 N2 O3 S |
| Smiles: | CCOc1ccc(cc1)c1nc2c(Cc3cccc(c3O2)OC)c(n1)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.1885 |
| logD: | 7.1855 |
| logSw: | -6.0587 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.569 |
| InChI Key: | QZSUMYQTYASNNR-UHFFFAOYSA-N |