2-{[1-(3-methylbutyl)-3-(2-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[1-(3-methylbutyl)-3-(2-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
2-{[1-(3-methylbutyl)-3-(2-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V016-5091 |
| Compound Name: | 2-{[1-(3-methylbutyl)-3-(2-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile |
| Molecular Weight: | 427.51 |
| Molecular Formula: | C25 H25 N5 O2 |
| Salt: | not_available |
| Smiles: | CC(C)CCN1C(c2c(ncn2Cc2ccccc2C#N)N(C1=O)c1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2423 |
| logD: | 4.2423 |
| logSw: | -4.1819 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.28 |
| InChI Key: | FBLUJHJDNNSWCZ-UHFFFAOYSA-N |