4-(benzylsulfanyl)-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidine
Chemical Structure Depiction of
4-(benzylsulfanyl)-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidine
4-(benzylsulfanyl)-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidine
Compound characteristics
| Compound ID: | C683-0246 |
| Compound Name: | 4-(benzylsulfanyl)-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidine |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C25 H20 N2 O2 S |
| Smiles: | COc1ccc(cc1)c1nc2c(Cc3ccccc3O2)c(n1)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.9782 |
| logD: | 6.9752 |
| logSw: | -6.0236 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.674 |
| InChI Key: | IBQFDCVMZUVSCV-UHFFFAOYSA-N |