ethyl [1-benzyl-3-(4-chlorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
Chemical Structure Depiction of
ethyl [1-benzyl-3-(4-chlorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
ethyl [1-benzyl-3-(4-chlorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
Compound characteristics
| Compound ID: | V023-7552 |
| Compound Name: | ethyl [1-benzyl-3-(4-chlorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate |
| Molecular Weight: | 438.87 |
| Molecular Formula: | C22 H19 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(Cn1cnc2c1C(N(Cc1ccccc1)C(N2c1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0943 |
| logD: | 3.0943 |
| logSw: | -3.2289 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.705 |
| InChI Key: | SCZDSHCERQKFFN-UHFFFAOYSA-N |