ethyl [3-(2-chlorophenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
Chemical Structure Depiction of
ethyl [3-(2-chlorophenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
ethyl [3-(2-chlorophenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
Compound characteristics
| Compound ID: | V012-7694 |
| Compound Name: | ethyl [3-(2-chlorophenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate |
| Molecular Weight: | 388.81 |
| Molecular Formula: | C18 H17 Cl N4 O4 |
| Smiles: | CCOC(Cn1cnc2c1C(N(CC=C)C(N2c1ccccc1[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8701 |
| logD: | 1.8701 |
| logSw: | -2.4844 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.654 |
| InChI Key: | WUVCRCQCDMIUCN-UHFFFAOYSA-N |