3-{[1-benzyl-3-(2-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[1-benzyl-3-(2-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
3-{[1-benzyl-3-(2-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V016-6774 |
| Compound Name: | 3-{[1-benzyl-3-(2-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile |
| Molecular Weight: | 463.5 |
| Molecular Formula: | C27 H21 N5 O3 |
| Salt: | not_available |
| Smiles: | COc1ccccc1N1C(N(Cc2ccccc2)C(c2c1ncn2Cc1cccc(C#N)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3866 |
| logD: | 3.3866 |
| logSw: | -3.768 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.66 |
| InChI Key: | FUXABCXKEQBQNV-UHFFFAOYSA-N |