5-{[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene}-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-{[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene}-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-{[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene}-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-1006 |
| Compound Name: | 5-{[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene}-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C22 H21 N3 O3 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccccc3)n2)S1)=O)\c1ccc(c(c1)OC)OCC(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.118 |
| logD: | 5.118 |
| logSw: | -5.0882 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.412 |
| InChI Key: | YBLCYNWCVAMCAK-UHFFFAOYSA-N |