5-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
Compound ID: | 6672-0163 |
Compound Name: | 5-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
Molecular Weight: | 477.58 |
Molecular Formula: | C26 H27 N3 O4 S |
Smiles: | CC(C)CCOc1ccc(\C=C2/C(n3c(nc(c4ccc(cc4)OCC=C)n3)S2)=O)cc1OC |
Stereo: | ACHIRAL |
logP: | 5.9881 |
logD: | 5.9881 |
logSw: | -5.5714 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 59.749 |
InChI Key: | CFQMZAZDHDRZPH-UHFFFAOYSA-N |