7-butyl-8-(2-chlorophenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-butyl-8-(2-chlorophenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-butyl-8-(2-chlorophenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4281-0305 |
| Compound Name: | 7-butyl-8-(2-chlorophenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 362.81 |
| Molecular Formula: | C17 H19 Cl N4 O3 |
| Smiles: | CCCCn1c2C(N(C)C(N(C)c2nc1Oc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0351 |
| logD: | 4.0351 |
| logSw: | -4.3539 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.089 |
| InChI Key: | ZKCXLESZWDQPLS-UHFFFAOYSA-N |