ethyl [3-(3-chlorophenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
Chemical Structure Depiction of
ethyl [3-(3-chlorophenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
ethyl [3-(3-chlorophenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
Compound characteristics
| Compound ID: | V021-6221 |
| Compound Name: | ethyl [3-(3-chlorophenyl)-1-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate |
| Molecular Weight: | 404.85 |
| Molecular Formula: | C19 H21 Cl N4 O4 |
| Smiles: | CCOC(Cn1cnc2c1C(N(CC(C)C)C(N2c1cccc(c1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7765 |
| logD: | 2.7765 |
| logSw: | -3.1834 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.976 |
| InChI Key: | JNFMVQDBYODRDE-UHFFFAOYSA-N |