4-{[3-(4-chlorophenyl)-1-(3-methylbutyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[3-(4-chlorophenyl)-1-(3-methylbutyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
4-{[3-(4-chlorophenyl)-1-(3-methylbutyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V029-1896 |
| Compound Name: | 4-{[3-(4-chlorophenyl)-1-(3-methylbutyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile |
| Molecular Weight: | 447.92 |
| Molecular Formula: | C24 H22 Cl N5 O2 |
| Salt: | not_available |
| Smiles: | CC(C)CCN1C(c2c(ncn2Cc2ccc(C#N)cc2)N(C1=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2336 |
| logD: | 4.2336 |
| logSw: | -4.455 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.581 |
| InChI Key: | BQGHTIYQOZYYEF-UHFFFAOYSA-N |