2-({2,6-dioxo-3-[4-(propan-2-yl)phenyl]-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile
Chemical Structure Depiction of
2-({2,6-dioxo-3-[4-(propan-2-yl)phenyl]-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile
2-({2,6-dioxo-3-[4-(propan-2-yl)phenyl]-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V024-1101 |
| Compound Name: | 2-({2,6-dioxo-3-[4-(propan-2-yl)phenyl]-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile |
| Molecular Weight: | 425.49 |
| Molecular Formula: | C25 H23 N5 O2 |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)N1C(N(CC=C)C(c2c1ncn2Cc1ccccc1C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0028 |
| logD: | 4.0028 |
| logSw: | -4.2316 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.581 |
| InChI Key: | NDLPKUSUGHVWHW-UHFFFAOYSA-N |