N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-2-(pyridin-3-yl)quinoline-4-carboxamide
Chemical Structure Depiction of
N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-2-(pyridin-3-yl)quinoline-4-carboxamide
N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-2-(pyridin-3-yl)quinoline-4-carboxamide
Compound characteristics
| Compound ID: | G547-0801 |
| Compound Name: | N-{2-[(adamantan-1-yl)sulfanyl]ethyl}-2-(pyridin-3-yl)quinoline-4-carboxamide |
| Molecular Weight: | 443.61 |
| Molecular Formula: | C27 H29 N3 O S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)SCCNC(c1cc(c2cccnc2)nc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6069 |
| logD: | 5.6045 |
| logSw: | -6.0456 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.104 |
| InChI Key: | CICCYCKDIYTONT-UHFFFAOYSA-N |