methyl 4-({2-[4-(hexyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({2-[4-(hexyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)benzoate
methyl 4-({2-[4-(hexyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)benzoate
Compound characteristics
| Compound ID: | 6672-0503 |
| Compound Name: | methyl 4-({2-[4-(hexyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}methyl)benzoate |
| Molecular Weight: | 463.55 |
| Molecular Formula: | C25 H25 N3 O4 S |
| Smiles: | CCCCCCOc1ccc(cc1)c1nc2n(C(/C(=C\c3ccc(cc3)C(=O)OC)S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.6604 |
| logD: | 6.6604 |
| logSw: | -5.7096 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.787 |
| InChI Key: | SRBBKAIDPPPBIE-UHFFFAOYSA-N |