ethyl [3-(3-chlorophenyl)-1-(3-methylbutyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
Chemical Structure Depiction of
ethyl [3-(3-chlorophenyl)-1-(3-methylbutyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
ethyl [3-(3-chlorophenyl)-1-(3-methylbutyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
Compound characteristics
| Compound ID: | V029-1248 |
| Compound Name: | ethyl [3-(3-chlorophenyl)-1-(3-methylbutyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate |
| Molecular Weight: | 418.88 |
| Molecular Formula: | C20 H23 Cl N4 O4 |
| Smiles: | CCOC(Cn1cnc2c1C(N(CCC(C)C)C(N2c1cccc(c1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1707 |
| logD: | 3.1707 |
| logSw: | -3.2617 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.955 |
| InChI Key: | OKENCTDKGDCKHI-UHFFFAOYSA-N |