methyl 4-{[6-oxo-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[6-oxo-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate
methyl 4-{[6-oxo-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate
Compound characteristics
Compound ID: | 5629-0994 |
Compound Name: | methyl 4-{[6-oxo-2-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}benzoate |
Molecular Weight: | 369.42 |
Molecular Formula: | C17 H11 N3 O3 S2 |
Smiles: | [H]C(=C1/C(n2c(nc(c3cccs3)n2)S1)=O)\c1ccc(cc1)C(=O)OC |
Stereo: | ACHIRAL |
logP: | 3.9024 |
logD: | 3.9024 |
logSw: | -4.1505 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 59.388 |
InChI Key: | PBYDWJYYODZWTN-UHFFFAOYSA-N |