5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile
Chemical Structure Depiction of
5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile
5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8008-8173 |
| Compound Name: | 5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile |
| Molecular Weight: | 361.26 |
| Molecular Formula: | C16 H13 Br N2 O S |
| Smiles: | CC1=C(C#N)C(NC(C)=C1CC(c1ccc(cc1)[Br])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 3.6707 |
| logD: | 2.524 |
| logSw: | -3.9865 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.717 |
| InChI Key: | WSDZZIMOZWBUOF-UHFFFAOYSA-N |