ethyl 4-({4-methyl-5-[(2-oxo-1,3-benzothiazol-3(2H)-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-3-oxobutanoate
Chemical Structure Depiction of
ethyl 4-({4-methyl-5-[(2-oxo-1,3-benzothiazol-3(2H)-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-3-oxobutanoate
ethyl 4-({4-methyl-5-[(2-oxo-1,3-benzothiazol-3(2H)-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-3-oxobutanoate
Compound characteristics
| Compound ID: | G856-2608 |
| Compound Name: | ethyl 4-({4-methyl-5-[(2-oxo-1,3-benzothiazol-3(2H)-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-3-oxobutanoate |
| Molecular Weight: | 406.48 |
| Molecular Formula: | C17 H18 N4 O4 S2 |
| Smiles: | CCOC(CC(CSc1nnc(CN2C(=O)Sc3ccccc23)n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.45 |
| logD: | 1.4499 |
| logSw: | -2.2265 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.057 |
| InChI Key: | YZGTYKUVWBFJPO-UHFFFAOYSA-N |