4-{[1-(2-methoxyethyl)-3-(4-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[1-(2-methoxyethyl)-3-(4-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
4-{[1-(2-methoxyethyl)-3-(4-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V025-9187 |
| Compound Name: | 4-{[1-(2-methoxyethyl)-3-(4-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile |
| Molecular Weight: | 415.45 |
| Molecular Formula: | C23 H21 N5 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)N1C(N(CCOC)C(c2c1ncn2Cc1ccc(C#N)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3045 |
| logD: | 2.3045 |
| logSw: | -2.4881 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.923 |
| InChI Key: | CEINACMYIBYSQJ-UHFFFAOYSA-N |