2-({1-(3-methylbutyl)-2,6-dioxo-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile
Chemical Structure Depiction of
2-({1-(3-methylbutyl)-2,6-dioxo-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile
2-({1-(3-methylbutyl)-2,6-dioxo-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V023-8463 |
| Compound Name: | 2-({1-(3-methylbutyl)-2,6-dioxo-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile |
| Molecular Weight: | 455.56 |
| Molecular Formula: | C27 H29 N5 O2 |
| Salt: | not_available |
| Smiles: | CC(C)CCN1C(c2c(ncn2Cc2ccccc2C#N)N(C1=O)c1ccc(cc1)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1524 |
| logD: | 5.1524 |
| logSw: | -4.9703 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.581 |
| InChI Key: | YQOOEWUVMNDVCN-UHFFFAOYSA-N |