2-amino-6-{[2-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)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-(2-methylpropyl)pyridine-3,5-dicarbonitrile
2-amino-6-{[2-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)pyridine-3,5-dicarbonitrile
Compound characteristics
| Compound ID: | 3448-4245 |
| Compound Name: | 2-amino-6-{[2-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)pyridine-3,5-dicarbonitrile |
| Molecular Weight: | 497.37 |
| Molecular Formula: | C22 H17 Br N4 O3 S |
| Smiles: | CC(C)Cc1c(C#N)c(N)nc(c1C#N)SCC(C1=Cc2cc(ccc2OC1=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2738 |
| logD: | 4.2738 |
| logSw: | -4.6843 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.692 |
| InChI Key: | BDOKYYVEUBFHKD-UHFFFAOYSA-N |