7-bromo-4-(ethylsulfanyl)-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidine
Chemical Structure Depiction of
7-bromo-4-(ethylsulfanyl)-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidine
7-bromo-4-(ethylsulfanyl)-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidine
Compound characteristics
Compound ID: | C683-0336 |
Compound Name: | 7-bromo-4-(ethylsulfanyl)-2-(4-methoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidine |
Molecular Weight: | 429.33 |
Molecular Formula: | C20 H17 Br N2 O2 S |
Smiles: | CCSc1c2Cc3cc(ccc3Oc2nc(c2ccc(cc2)OC)n1)[Br] |
Stereo: | ACHIRAL |
logP: | 6.8605 |
logD: | 6.8531 |
logSw: | -5.8833 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 33.946 |
InChI Key: | GAIWBRPROVXGCN-UHFFFAOYSA-N |