4-(benzylsulfanyl)-7-bromo-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidine
Chemical Structure Depiction of
4-(benzylsulfanyl)-7-bromo-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidine
4-(benzylsulfanyl)-7-bromo-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidine
Compound characteristics
| Compound ID: | C683-0181 |
| Compound Name: | 4-(benzylsulfanyl)-7-bromo-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidine |
| Molecular Weight: | 461.38 |
| Molecular Formula: | C24 H17 Br N2 O S |
| Smiles: | C1c2cc(ccc2Oc2c1c(nc(c1ccccc1)n2)SCc1ccccc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 7.5365 |
| logD: | 7.5291 |
| logSw: | -6.3573 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.1307 |
| InChI Key: | IVGWURGNKYVBTA-UHFFFAOYSA-N |