5-acetyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(1H-indol-3-yl)-6-methyl-1,4-dihydropyridine-3-carbonitrile
Chemical Structure Depiction of
5-acetyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(1H-indol-3-yl)-6-methyl-1,4-dihydropyridine-3-carbonitrile
5-acetyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(1H-indol-3-yl)-6-methyl-1,4-dihydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8009-9816 |
| Compound Name: | 5-acetyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(1H-indol-3-yl)-6-methyl-1,4-dihydropyridine-3-carbonitrile |
| Molecular Weight: | 461.97 |
| Molecular Formula: | C25 H20 Cl N3 O2 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(c1ccc(cc1)[Cl])=O)c1c[nH]c2ccccc12)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7146 |
| logD: | 2.6326 |
| logSw: | -4.922 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.775 |
| InChI Key: | YGCMOMWGVOHKQW-XMMPIXPASA-N |