5-acetyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-propyl-1,4-dihydropyridine-3-carbonitrile
Chemical Structure Depiction of
5-acetyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-propyl-1,4-dihydropyridine-3-carbonitrile
5-acetyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-propyl-1,4-dihydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8008-9194 |
| Compound Name: | 5-acetyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-propyl-1,4-dihydropyridine-3-carbonitrile |
| Molecular Weight: | 433.37 |
| Molecular Formula: | C20 H21 Br N2 O2 S |
| Smiles: | CCCC1C(C#N)=C(NC(C)=C1C(C)=O)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3279 |
| logD: | 2.0085 |
| logSw: | -4.2178 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.176 |
| InChI Key: | VSSZUBYDXODZSN-INIZCTEOSA-N |