methyl 4-[(6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[(6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl]benzoate
methyl 4-[(6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl]benzoate
Compound characteristics
| Compound ID: | 5629-0983 |
| Compound Name: | methyl 4-[(6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl]benzoate |
| Molecular Weight: | 287.29 |
| Molecular Formula: | C13 H9 N3 O3 S |
| Smiles: | [H]C(=C1/C(n2c(nc([H])n2)S1)=O)\c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.9974 |
| logD: | 1.9974 |
| logSw: | -2.2122 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.582 |
| InChI Key: | STACNHBMSMLHQT-UHFFFAOYSA-N |