4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 4296-0741 |
| Compound Name: | 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 409.3 |
| Molecular Formula: | C17 H17 Br N2 O3 S |
| Smiles: | CC(=C)CSC1=C(C#N)C(CC(N1)=O)c1cc(c(c(c1)[Br])O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1594 |
| logD: | 3.091 |
| logSw: | -3.19 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.297 |
| InChI Key: | FYPIBCKBNMLIAZ-NSHDSACASA-N |