4-(benzylsulfanyl)-7-bromo-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidine
Chemical Structure Depiction of
4-(benzylsulfanyl)-7-bromo-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidine
4-(benzylsulfanyl)-7-bromo-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidine
Compound characteristics
| Compound ID: | C683-0337 |
| Compound Name: | 4-(benzylsulfanyl)-7-bromo-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidine |
| Molecular Weight: | 491.41 |
| Molecular Formula: | C25 H19 Br N2 O2 S |
| Smiles: | COc1ccc(cc1)c1nc2c(Cc3cc(ccc3O2)[Br])c(n1)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.624 |
| logD: | 7.6166 |
| logSw: | -5.901 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.674 |
| InChI Key: | XMWHMDQMLMMKSK-UHFFFAOYSA-N |