5-{[4-(propan-2-yl)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-{[4-(propan-2-yl)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-{[4-(propan-2-yl)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-0239 |
| Compound Name: | 5-{[4-(propan-2-yl)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 271.34 |
| Molecular Formula: | C14 H13 N3 O S |
| Smiles: | [H]C(=C1/C(n2c(nc([H])n2)S1)=O)\c1ccc(cc1)C(C)C |
| Stereo: | ACHIRAL |
| logP: | 3.2449 |
| logD: | 3.2449 |
| logSw: | -3.4348 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.408 |
| InChI Key: | LISVXXUGAZFAPH-UHFFFAOYSA-N |