N-(2-{[(8-methyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}phenyl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-(2-{[(8-methyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}phenyl)adamantane-1-carboxamide
N-(2-{[(8-methyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}phenyl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | G751-2703 |
| Compound Name: | N-(2-{[(8-methyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}phenyl)adamantane-1-carboxamide |
| Molecular Weight: | 458.62 |
| Molecular Formula: | C28 H30 N2 O2 S |
| Smiles: | [H][C@@]12CC3(C[C@@]([H])(C1)C[C@]([H])(C3)C2)C(Nc1ccccc1SCC1=CC(c2cccc(C)c2N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2975 |
| logD: | 6.2867 |
| logSw: | -5.6216 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.936 |
| InChI Key: | SOQPJORPHCNZIX-UHFFFAOYSA-N |