3-{[3-(4-methylphenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[3-(4-methylphenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
3-{[3-(4-methylphenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V025-9176 |
| Compound Name: | 3-{[3-(4-methylphenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile |
| Molecular Weight: | 413.48 |
| Molecular Formula: | C24 H23 N5 O2 |
| Salt: | not_available |
| Smiles: | CC(C)CN1C(c2c(ncn2Cc2cccc(C#N)c2)N(C1=O)c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5881 |
| logD: | 3.5881 |
| logSw: | -3.5864 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.602 |
| InChI Key: | LPKNOQHLNDNTBK-UHFFFAOYSA-N |