2-(4-methylphenyl)-5-{[4-(propan-2-yl)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-(4-methylphenyl)-5-{[4-(propan-2-yl)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(4-methylphenyl)-5-{[4-(propan-2-yl)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-0241 |
| Compound Name: | 2-(4-methylphenyl)-5-{[4-(propan-2-yl)phenyl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C21 H19 N3 O S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccc(C)cc3)n2)S1)=O)\c1ccc(cc1)C(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.8528 |
| logD: | 5.8528 |
| logSw: | -5.5652 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.196 |
| InChI Key: | DMZVUVGNIDXTPD-UHFFFAOYSA-N |