[4-(1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)-2-iodo-6-methoxyphenoxy]acetonitrile
Chemical Structure Depiction of
[4-(1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)-2-iodo-6-methoxyphenoxy]acetonitrile
[4-(1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)-2-iodo-6-methoxyphenoxy]acetonitrile
Compound characteristics
| Compound ID: | Y510-4871 |
| Compound Name: | [4-(1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)-2-iodo-6-methoxyphenoxy]acetonitrile |
| Molecular Weight: | 504.32 |
| Molecular Formula: | C22 H21 I N2 O4 |
| Smiles: | COc1cc(cc(c1OCC#N)I)C1C2=C(CCCC2=O)NC2CCCC(C1=2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1243 |
| logD: | -0.5389 |
| logSw: | -3.333 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.202 |
| InChI Key: | ALSMAAFWQKSVIJ-UHFFFAOYSA-N |