4-(benzylsulfanyl)-9-methoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidine
Chemical Structure Depiction of
4-(benzylsulfanyl)-9-methoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidine
4-(benzylsulfanyl)-9-methoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidine
Compound characteristics
| Compound ID: | C683-0096 |
| Compound Name: | 4-(benzylsulfanyl)-9-methoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidine |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C25 H20 N2 O2 S |
| Smiles: | COc1cccc2Cc3c(nc(c4ccccc4)nc3SCc3ccccc3)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 6.7145 |
| logD: | 6.7115 |
| logSw: | -6.1109 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.445 |
| InChI Key: | DIXZHBSGLOJZMD-UHFFFAOYSA-N |