2-(3,4-dimethoxyphenyl)-5-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-5-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(3,4-dimethoxyphenyl)-5-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6187-1922 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-5-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 481.57 |
| Molecular Formula: | C25 H27 N3 O5 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccc(c(c3)OC)OC)n2)S1)=O)\c1ccc(c(c1)OC)OCCC(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.0774 |
| logD: | 5.0774 |
| logSw: | -4.7943 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.592 |
| InChI Key: | OFJPNNYVBAVDPB-UHFFFAOYSA-N |