6-benzylidene-3-(4-tert-butylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-5(6H)-one
Chemical Structure Depiction of
6-benzylidene-3-(4-tert-butylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-5(6H)-one
6-benzylidene-3-(4-tert-butylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-5(6H)-one
Compound characteristics
| Compound ID: | 8010-3576 |
| Compound Name: | 6-benzylidene-3-(4-tert-butylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-5(6H)-one |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C21 H19 N3 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc2n1C(/C(=C/c1ccccc1)S2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2733 |
| logD: | 5.2733 |
| logSw: | -5.2993 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.944 |
| InChI Key: | LFVAVODQMNEHCO-UHFFFAOYSA-N |