3-{[2,6-dioxo-3-phenyl-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[2,6-dioxo-3-phenyl-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
3-{[2,6-dioxo-3-phenyl-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V024-3686 |
| Compound Name: | 3-{[2,6-dioxo-3-phenyl-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile |
| Molecular Weight: | 383.41 |
| Molecular Formula: | C22 H17 N5 O2 |
| Smiles: | C=CCN1C(c2c(ncn2Cc2cccc(C#N)c2)N(C1=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2877 |
| logD: | 2.2877 |
| logSw: | -2.6978 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.581 |
| InChI Key: | SCXGXWLXZKSHKN-UHFFFAOYSA-N |