benzyl {[6-amino-3,5-dicyano-4-(4-hydroxyphenyl)pyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[6-amino-3,5-dicyano-4-(4-hydroxyphenyl)pyridin-2-yl]sulfanyl}acetate
benzyl {[6-amino-3,5-dicyano-4-(4-hydroxyphenyl)pyridin-2-yl]sulfanyl}acetate
Compound characteristics
Compound ID: | 0655-0250 |
Compound Name: | benzyl {[6-amino-3,5-dicyano-4-(4-hydroxyphenyl)pyridin-2-yl]sulfanyl}acetate |
Molecular Weight: | 416.46 |
Molecular Formula: | C22 H16 N4 O3 S |
Smiles: | C(c1ccccc1)OC(CSc1c(C#N)c(c2ccc(cc2)O)c(C#N)c(N)n1)=O |
Stereo: | ACHIRAL |
logP: | 3.6329 |
logD: | 3.631 |
logSw: | -4.2299 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 101.403 |
InChI Key: | YRFBDPFKURPMJF-UHFFFAOYSA-N |