2-(4-butoxyphenyl)-5-[(4-nitrophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-(4-butoxyphenyl)-5-[(4-nitrophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(4-butoxyphenyl)-5-[(4-nitrophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 6187-0939 |
| Compound Name: | 2-(4-butoxyphenyl)-5-[(4-nitrophenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C21 H18 N4 O4 S |
| Smiles: | CCCCOc1ccc(cc1)c1nc2n(C(/C(=C/c3ccc(cc3)[N+]([O-])=O)S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.4492 |
| logD: | 5.4492 |
| logSw: | -5.3323 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.995 |
| InChI Key: | PPZYEVVLVISQIM-UHFFFAOYSA-N |