N-{2-[benzyl(methyl)amino]ethyl}-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide
Chemical Structure Depiction of
N-{2-[benzyl(methyl)amino]ethyl}-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide
N-{2-[benzyl(methyl)amino]ethyl}-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | K788-0304 |
| Compound Name: | N-{2-[benzyl(methyl)amino]ethyl}-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide |
| Molecular Weight: | 449.6 |
| Molecular Formula: | C23 H23 N5 O S2 |
| Smiles: | Cc1nnc(Sc2cc(C(NCCN(C)Cc3ccccc3)=O)c3ccccc3n2)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1575 |
| logD: | 3.9512 |
| logSw: | -4.1247 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.679 |
| InChI Key: | WLHAJBUYXHSTAI-UHFFFAOYSA-N |