3-(2-chlorophenyl)-1-ethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(2-chlorophenyl)-1-ethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
3-(2-chlorophenyl)-1-ethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V013-0796 |
| Compound Name: | 3-(2-chlorophenyl)-1-ethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 330.77 |
| Molecular Formula: | C16 H15 Cl N4 O2 |
| Smiles: | CCN1C(c2c(ncn2CC=C)N(C1=O)c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1909 |
| logD: | 2.1909 |
| logSw: | -2.6575 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.22 |
| InChI Key: | MDNLMAPSYNSXIP-UHFFFAOYSA-N |