ethyl 3-oxo-4-({5-[(2-oxo-1,3-benzothiazol-3(2H)-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate
Chemical Structure Depiction of
ethyl 3-oxo-4-({5-[(2-oxo-1,3-benzothiazol-3(2H)-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate
ethyl 3-oxo-4-({5-[(2-oxo-1,3-benzothiazol-3(2H)-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate
Compound characteristics
| Compound ID: | G856-2612 |
| Compound Name: | ethyl 3-oxo-4-({5-[(2-oxo-1,3-benzothiazol-3(2H)-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate |
| Molecular Weight: | 496.61 |
| Molecular Formula: | C24 H24 N4 O4 S2 |
| Smiles: | CCOC(CC(CSc1nnc(CN2C(=O)Sc3ccccc23)n1CCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3781 |
| logD: | 3.378 |
| logSw: | -3.5855 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 73.954 |
| InChI Key: | SAAPZWICYQCFGE-UHFFFAOYSA-N |