7-(3-chlorobut-2-en-1-yl)-3-methyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-(3-chlorobut-2-en-1-yl)-3-methyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-(3-chlorobut-2-en-1-yl)-3-methyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 0543-0174 |
| Compound Name: | 7-(3-chlorobut-2-en-1-yl)-3-methyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 338.79 |
| Molecular Formula: | C14 H19 Cl N6 O2 |
| Smiles: | C/C(=C\Cn1c2C(NC(N(C)c2nc1N1CCNCC1)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.3053 |
| logD: | -1.1645 |
| logSw: | -2.5423 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.822 |
| InChI Key: | DJABCRUQDNAHBQ-UHFFFAOYSA-N |