4-({3-(4-chlorophenyl)-2,6-dioxo-1-[(oxolan-2-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile
Chemical Structure Depiction of
4-({3-(4-chlorophenyl)-2,6-dioxo-1-[(oxolan-2-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile
4-({3-(4-chlorophenyl)-2,6-dioxo-1-[(oxolan-2-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V016-5166 |
| Compound Name: | 4-({3-(4-chlorophenyl)-2,6-dioxo-1-[(oxolan-2-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzonitrile |
| Molecular Weight: | 461.91 |
| Molecular Formula: | C24 H20 Cl N5 O3 |
| Salt: | not_available |
| Smiles: | C1CC(CN2C(c3c(ncn3Cc3ccc(C#N)cc3)N(C2=O)c2ccc(cc2)[Cl])=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6428 |
| logD: | 2.6428 |
| logSw: | -3.3499 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.985 |
| InChI Key: | YFGAITLYXWEBRQ-HXUWFJFHSA-N |