8-{[2-(4-chlorophenoxy)ethyl]amino}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[2-(4-chlorophenoxy)ethyl]amino}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[2-(4-chlorophenoxy)ethyl]amino}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8010-6607 |
| Compound Name: | 8-{[2-(4-chlorophenoxy)ethyl]amino}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 363.8 |
| Molecular Formula: | C16 H18 Cl N5 O3 |
| Smiles: | CN1C(c2c(nc(NCCOc3ccc(cc3)[Cl])n2C)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0102 |
| logD: | 3.0098 |
| logSw: | -3.6382 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.187 |
| InChI Key: | OATCSADIHHHJKQ-UHFFFAOYSA-N |