5-acetyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile
Chemical Structure Depiction of
5-acetyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile
5-acetyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 2636-0046 |
| Compound Name: | 5-acetyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile |
| Molecular Weight: | 451.48 |
| Molecular Formula: | C23 H18 F N3 O4 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(c1ccc(cc1)F)=O)c1cccc(c1)[N+]([O-])=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6545 |
| logD: | 1.5724 |
| logSw: | -3.9874 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.286 |
| InChI Key: | YCFVPMBSHVLDRW-QFIPXVFZSA-N |