2-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}-4-methyl-6-oxo-1,6-dihydropyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}-4-methyl-6-oxo-1,6-dihydropyridine-3-carbonitrile
2-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}-4-methyl-6-oxo-1,6-dihydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8001-1493 |
| Compound Name: | 2-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}-4-methyl-6-oxo-1,6-dihydropyridine-3-carbonitrile |
| Molecular Weight: | 342.46 |
| Molecular Formula: | C19 H22 N2 O2 S |
| Smiles: | CC1=CC(NC(=C1C#N)SCC(C12CC3CC(CC(C3)C2)C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9567 |
| logD: | 2.8954 |
| logSw: | -4.0366 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.467 |
| InChI Key: | LVAKNKPEHFLBQK-UHFFFAOYSA-N |