8-(1,4-diazepan-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(1,4-diazepan-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(1,4-diazepan-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8019-3544 |
| Compound Name: | 8-(1,4-diazepan-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 278.31 |
| Molecular Formula: | C12 H18 N6 O2 |
| Smiles: | CN1C(c2c(nc([nH]2)N2CCCNCC2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1956 |
| logD: | -2.5523 |
| logSw: | -0.2392 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.746 |
| InChI Key: | MYWZLNSGAJEJRX-UHFFFAOYSA-N |