2-{[1-benzyl-3-(4-chlorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[1-benzyl-3-(4-chlorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
2-{[1-benzyl-3-(4-chlorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V023-7485 |
| Compound Name: | 2-{[1-benzyl-3-(4-chlorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile |
| Molecular Weight: | 467.91 |
| Molecular Formula: | C26 H18 Cl N5 O2 |
| Salt: | not_available |
| Smiles: | C(c1ccccc1)N1C(c2c(ncn2Cc2ccccc2C#N)N(C1=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3773 |
| logD: | 4.3773 |
| logSw: | -4.8494 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.331 |
| InChI Key: | GBUBTGNEWJKJAL-UHFFFAOYSA-N |