2-{[3-(4-chlorophenyl)-1-(2-methoxyethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[3-(4-chlorophenyl)-1-(2-methoxyethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
2-{[3-(4-chlorophenyl)-1-(2-methoxyethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V017-2725 |
| Compound Name: | 2-{[3-(4-chlorophenyl)-1-(2-methoxyethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile |
| Molecular Weight: | 435.87 |
| Molecular Formula: | C22 H18 Cl N5 O3 |
| Salt: | not_available |
| Smiles: | COCCN1C(c2c(ncn2Cc2ccccc2C#N)N(C1=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6513 |
| logD: | 2.6513 |
| logSw: | -3.5276 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.923 |
| InChI Key: | NKFJHIBXCPQBDE-UHFFFAOYSA-N |