2-amino-6-{[2-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-2-oxoethyl]sulfanyl}-4-(4-ethoxyphenyl)pyridine-3,5-dicarbonitrile
Chemical Structure Depiction of
2-amino-6-{[2-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-2-oxoethyl]sulfanyl}-4-(4-ethoxyphenyl)pyridine-3,5-dicarbonitrile
2-amino-6-{[2-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-2-oxoethyl]sulfanyl}-4-(4-ethoxyphenyl)pyridine-3,5-dicarbonitrile
Compound characteristics
| Compound ID: | 4088-0309 |
| Compound Name: | 2-amino-6-{[2-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-2-oxoethyl]sulfanyl}-4-(4-ethoxyphenyl)pyridine-3,5-dicarbonitrile |
| Molecular Weight: | 561.41 |
| Molecular Formula: | C26 H17 Br N4 O4 S |
| Smiles: | CCOc1ccc(cc1)c1c(C#N)c(N)nc(c1C#N)SCC(C1=Cc2cc(ccc2OC1=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8913 |
| logD: | 4.8913 |
| logSw: | -4.9154 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.544 |
| InChI Key: | MIFIRFWISAOJPX-UHFFFAOYSA-N |