2-(6-oxo-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate
Chemical Structure Depiction of
2-(6-oxo-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate
2-(6-oxo-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate
Compound characteristics
| Compound ID: | 4428-0012 |
| Compound Name: | 2-(6-oxo-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate |
| Molecular Weight: | 511.58 |
| Molecular Formula: | C26 H17 N5 O3 S2 |
| Smiles: | CC(=O)Oc1ccccc1c1nc2n(C(/C(=C/c3cn(c4ccccc4)nc3c3cccs3)S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.9443 |
| logD: | 4.9443 |
| logSw: | -4.6973 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.685 |
| InChI Key: | YJMHNOWXDGEYDM-UHFFFAOYSA-N |