N-[3-(cyclohexylsulfanyl)propyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide
Chemical Structure Depiction of
N-[3-(cyclohexylsulfanyl)propyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide
N-[3-(cyclohexylsulfanyl)propyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | K788-0134 |
| Compound Name: | N-[3-(cyclohexylsulfanyl)propyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide |
| Molecular Weight: | 458.67 |
| Molecular Formula: | C22 H26 N4 O S3 |
| Smiles: | Cc1nnc(Sc2cc(C(NCCCSC3CCCCC3)=O)c3ccccc3n2)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.47 |
| logD: | 5.4699 |
| logSw: | -5.4954 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.777 |
| InChI Key: | JSMNFKDFFJPXFQ-UHFFFAOYSA-N |