3-{[3-(4-chlorophenyl)-2,6-dioxo-1-(2-phenylethyl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[3-(4-chlorophenyl)-2,6-dioxo-1-(2-phenylethyl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
3-{[3-(4-chlorophenyl)-2,6-dioxo-1-(2-phenylethyl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V029-5379 |
| Compound Name: | 3-{[3-(4-chlorophenyl)-2,6-dioxo-1-(2-phenylethyl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile |
| Molecular Weight: | 481.94 |
| Molecular Formula: | C27 H20 Cl N5 O2 |
| Salt: | not_available |
| Smiles: | C(CN1C(c2c(ncn2Cc2cccc(C#N)c2)N(C1=O)c1ccc(cc1)[Cl])=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2761 |
| logD: | 4.2761 |
| logSw: | -4.6521 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.309 |
| InChI Key: | PVIRKKFWMJZDOJ-UHFFFAOYSA-N |