{[4-({7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}oxy)-3-methoxyphenyl]methylidene}propanedinitrile
Chemical Structure Depiction of
{[4-({7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}oxy)-3-methoxyphenyl]methylidene}propanedinitrile
{[4-({7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}oxy)-3-methoxyphenyl]methylidene}propanedinitrile
Compound characteristics
| Compound ID: | C406-0222 |
| Compound Name: | {[4-({7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}oxy)-3-methoxyphenyl]methylidene}propanedinitrile |
| Molecular Weight: | 537.36 |
| Molecular Formula: | C25 H18 Cl2 N6 O4 |
| Smiles: | CN1C(c2c(nc(n2Cc2ccc(cc2[Cl])[Cl])Oc2ccc(C=C(C#N)C#N)cc2OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3239 |
| logD: | 5.3238 |
| logSw: | -6.0481 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 91.582 |
| InChI Key: | JQQXHTUEXXRROP-UHFFFAOYSA-N |