4-[(7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)methyl]benzonitrile
Chemical Structure Depiction of
4-[(7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)methyl]benzonitrile
4-[(7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)methyl]benzonitrile
Compound characteristics
| Compound ID: | 8012-4739 |
| Compound Name: | 4-[(7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)methyl]benzonitrile |
| Molecular Weight: | 371.4 |
| Molecular Formula: | C21 H17 N5 O2 |
| Smiles: | CN1C(N(Cc2ccc(C#N)cc2)C(c2c1ncn2Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3527 |
| logD: | 2.3527 |
| logSw: | -2.5517 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.979 |
| InChI Key: | JKAUWQXFADGYBZ-UHFFFAOYSA-N |