4-(benzylsulfanyl)-7-bromo-9-methoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidine
Chemical Structure Depiction of
4-(benzylsulfanyl)-7-bromo-9-methoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidine
4-(benzylsulfanyl)-7-bromo-9-methoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidine
Compound characteristics
| Compound ID: | C683-0223 |
| Compound Name: | 4-(benzylsulfanyl)-7-bromo-9-methoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidine |
| Molecular Weight: | 491.41 |
| Molecular Formula: | C25 H19 Br N2 O2 S |
| Smiles: | COc1cc(cc2Cc3c(nc(c4ccccc4)nc3SCc3ccccc3)Oc12)[Br] |
| Stereo: | ACHIRAL |
| logP: | 7.5147 |
| logD: | 7.5073 |
| logSw: | -5.8692 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.445 |
| InChI Key: | YQHMQFZOPNOPNJ-UHFFFAOYSA-N |