N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetamide
N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 6574-0114 |
| Compound Name: | N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 590.12 |
| Molecular Formula: | C29 H24 Cl N5 O3 S2 |
| Smiles: | CC1(C)CC(c2c(c3ccc(cc3)OC)c(C#N)c(nc2C1)SCC(Nc1nc(c2ccc(cc2)[Cl])sn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7266 |
| logD: | 6.7266 |
| logSw: | -6.4955 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.542 |
| InChI Key: | KQXMBZUOVYULIH-UHFFFAOYSA-N |