5-benzylidene-2-(4-butoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-benzylidene-2-(4-butoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-benzylidene-2-(4-butoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6187-0930 |
| Compound Name: | 5-benzylidene-2-(4-butoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C21 H19 N3 O2 S |
| Smiles: | CCCCOc1ccc(cc1)c1nc2n(C(/C(=C/c3ccccc3)S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.5279 |
| logD: | 5.5279 |
| logSw: | -5.4503 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.614 |
| InChI Key: | GNGRRRBUDBEEOB-UHFFFAOYSA-N |