2-{[3-(2-chlorophenyl)-1-cyclohexyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[3-(2-chlorophenyl)-1-cyclohexyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
2-{[3-(2-chlorophenyl)-1-cyclohexyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V024-1459 |
| Compound Name: | 2-{[3-(2-chlorophenyl)-1-cyclohexyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile |
| Molecular Weight: | 459.93 |
| Molecular Formula: | C25 H22 Cl N5 O2 |
| Salt: | not_available |
| Smiles: | C1CCC(CC1)N1C(c2c(ncn2Cc2ccccc2C#N)N(C1=O)c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3008 |
| logD: | 4.3008 |
| logSw: | -4.5185 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.251 |
| InChI Key: | MIHXGOBGZRXCAZ-UHFFFAOYSA-N |