4-{[3-(2-chlorophenyl)-1-cyclopropyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[3-(2-chlorophenyl)-1-cyclopropyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
4-{[3-(2-chlorophenyl)-1-cyclopropyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V030-2006 |
| Compound Name: | 4-{[3-(2-chlorophenyl)-1-cyclopropyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile |
| Molecular Weight: | 417.85 |
| Molecular Formula: | C22 H16 Cl N5 O2 |
| Smiles: | C1CC1N1C(c2c(ncn2Cc2ccc(C#N)cc2)N(C1=O)c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9603 |
| logD: | 2.9603 |
| logSw: | -3.4388 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.582 |
| InChI Key: | CLDVCOBKODXTBO-UHFFFAOYSA-N |