2-({2,6-dioxo-1-(2-phenoxyethyl)-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile
Chemical Structure Depiction of
2-({2,6-dioxo-1-(2-phenoxyethyl)-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile
2-({2,6-dioxo-1-(2-phenoxyethyl)-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V024-1427 |
| Compound Name: | 2-({2,6-dioxo-1-(2-phenoxyethyl)-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile |
| Molecular Weight: | 505.58 |
| Molecular Formula: | C30 H27 N5 O3 |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)N1C(N(CCOc2ccccc2)C(c2c1ncn2Cc1ccccc1C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1993 |
| logD: | 5.1993 |
| logSw: | -5.06 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.727 |
| InChI Key: | LNGSUQYLSUMZEQ-UHFFFAOYSA-N |