2-(4-tert-butylphenyl)-5-[(3-methylthiophen-2-yl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-(4-tert-butylphenyl)-5-[(3-methylthiophen-2-yl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(4-tert-butylphenyl)-5-[(3-methylthiophen-2-yl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-0536 |
| Compound Name: | 2-(4-tert-butylphenyl)-5-[(3-methylthiophen-2-yl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 381.52 |
| Molecular Formula: | C20 H19 N3 O S2 |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccc(cc3)C(C)(C)C)n2)S1)=O)\c1c(C)ccs1 |
| Stereo: | ACHIRAL |
| logP: | 6.136 |
| logD: | 6.136 |
| logSw: | -5.5795 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.214 |
| InChI Key: | HMEQBHWEFGVZKR-UHFFFAOYSA-N |