N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 6850-0282 |
| Compound Name: | N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 533.71 |
| Molecular Formula: | C28 H31 N5 O2 S2 |
| Smiles: | CCc1c(C#N)c(nc2CC(C)(C)CC(c12)=O)SCC(Nc1nc(c2ccc(cc2)C(C)(C)C)sn1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0595 |
| logD: | 7.0594 |
| logSw: | -5.8125 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.27 |
| InChI Key: | DAUMNWBSZPIACH-UHFFFAOYSA-N |