2-amino-4-(3-chlorophenyl)-6-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}pyridine-3,5-dicarbonitrile
Chemical Structure Depiction of
2-amino-4-(3-chlorophenyl)-6-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}pyridine-3,5-dicarbonitrile
2-amino-4-(3-chlorophenyl)-6-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}pyridine-3,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8009-7916 |
| Compound Name: | 2-amino-4-(3-chlorophenyl)-6-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}pyridine-3,5-dicarbonitrile |
| Molecular Weight: | 436.87 |
| Molecular Formula: | C21 H13 Cl N4 O3 S |
| Smiles: | C(C(c1ccc(c(c1)O)O)=O)Sc1c(C#N)c(c2cccc(c2)[Cl])c(C#N)c(N)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6683 |
| logD: | 3.4859 |
| logSw: | -4.353 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 109.595 |
| InChI Key: | FFLWGWDLTAXGDR-UHFFFAOYSA-N |