5-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 4341-3330 |
| Compound Name: | 5-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 427.54 |
| Molecular Formula: | C21 H21 N3 O3 S2 |
| Smiles: | CCCCCOc1ccc(/C=C2/C(n3c(nc(c4cccs4)n3)S2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.4555 |
| logD: | 5.4555 |
| logSw: | -5.2464 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.349 |
| InChI Key: | QFOMEXWLYPHVPK-UHFFFAOYSA-N |