4-{[3-(2-methoxyphenyl)-2,6-dioxo-1-(propan-2-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[3-(2-methoxyphenyl)-2,6-dioxo-1-(propan-2-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
4-{[3-(2-methoxyphenyl)-2,6-dioxo-1-(propan-2-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V022-2747 |
| Compound Name: | 4-{[3-(2-methoxyphenyl)-2,6-dioxo-1-(propan-2-yl)-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: | CC(C)N1C(c2c(ncn2Cc2ccc(C#N)cc2)N(C1=O)c1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5517 |
| logD: | 2.5517 |
| logSw: | -2.5155 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.652 |
| InChI Key: | TXCFIFLHVRQDAZ-UHFFFAOYSA-N |