N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Chemical Structure Depiction of
N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Compound characteristics
| Compound ID: | Y032-3711 |
| Compound Name: | N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide |
| Molecular Weight: | 511.37 |
| Molecular Formula: | C24 H20 Cl2 N6 O3 |
| Smiles: | Cc1cc(C(C#N)c2ccc(cc2)[Cl])c(cc1NC(Cn1cnc2c1C(N(C)C(N2C)=O)=O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6278 |
| logD: | 3.6275 |
| logSw: | -4.025 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.197 |
| InChI Key: | XIMMFXAKYMYIEH-KRWDZBQOSA-N |