2-[2-(4-chlorophenyl)ethenyl]-5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-[2-(4-chlorophenyl)ethenyl]-5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-[2-(4-chlorophenyl)ethenyl]-5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6672-0223 |
| Compound Name: | 2-[2-(4-chlorophenyl)ethenyl]-5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 494.06 |
| Molecular Formula: | C27 H28 Cl N3 O2 S |
| Smiles: | CC(C)(C)c1cc(\C=C2/C(n3c(nc(/C=C/c4ccc(cc4)[Cl])n3)S2)=O)cc(c1O)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 7.3657 |
| logD: | 7.3655 |
| logSw: | -6.2104 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.666 |
| InChI Key: | NQVWRJFAPMCRDG-UHFFFAOYSA-N |