8-(3-bromophenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(3-bromophenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(3-bromophenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8017-3216 |
| Compound Name: | 8-(3-bromophenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 365.18 |
| Molecular Formula: | C14 H13 Br N4 O3 |
| Smiles: | CN1C(c2c(nc(n2C)Oc2cccc(c2)[Br])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9364 |
| logD: | 2.9363 |
| logSw: | -3.3029 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.834 |
| InChI Key: | WKQFGNBJLCCZJR-UHFFFAOYSA-N |