methyl 4-[(6-oxo-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[(6-oxo-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl]benzoate
methyl 4-[(6-oxo-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl]benzoate
Compound characteristics
| Compound ID: | 5629-0984 |
| Compound Name: | methyl 4-[(6-oxo-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl]benzoate |
| Molecular Weight: | 363.39 |
| Molecular Formula: | C19 H13 N3 O3 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccccc3)n2)S1)=O)\c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.0769 |
| logD: | 4.0769 |
| logSw: | -4.3613 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.37 |
| InChI Key: | RLSYRRNENLZXRO-UHFFFAOYSA-N |