2-(4-tert-butylphenyl)-5-[(4-iodophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-(4-tert-butylphenyl)-5-[(4-iodophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(4-tert-butylphenyl)-5-[(4-iodophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | Y070-0827 |
| Compound Name: | 2-(4-tert-butylphenyl)-5-[(4-iodophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 487.36 |
| Molecular Formula: | C21 H18 I N3 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nc2n(C(/C(=C/c3ccc(cc3)I)S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 7.0963 |
| logD: | 7.0963 |
| logSw: | -5.8362 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.196 |
| InChI Key: | HHHUPYZFPSARFO-UHFFFAOYSA-N |