4-{[3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
4-{[3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V018-2031 |
| Compound Name: | 4-{[3-(2-chlorophenyl)-1-(2-methoxyethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile |
| Molecular Weight: | 435.87 |
| Molecular Formula: | C22 H18 Cl N5 O3 |
| Smiles: | COCCN1C(c2c(ncn2Cc2ccc(C#N)cc2)N(C1=O)c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3696 |
| logD: | 2.3696 |
| logSw: | -2.9467 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.622 |
| InChI Key: | MJZOEGOKQFTDDS-UHFFFAOYSA-N |