1,3-dimethyl-8-(piperidin-1-yl)-7-{3-[(piperidin-2-ylidene)amino]propyl}-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Chemical Structure Depiction of
1,3-dimethyl-8-(piperidin-1-yl)-7-{3-[(piperidin-2-ylidene)amino]propyl}-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
1,3-dimethyl-8-(piperidin-1-yl)-7-{3-[(piperidin-2-ylidene)amino]propyl}-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8012-3548 |
| Compound Name: | 1,3-dimethyl-8-(piperidin-1-yl)-7-{3-[(piperidin-2-ylidene)amino]propyl}-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1) |
| Molecular Weight: | 437.97 |
| Molecular Formula: | C20 H31 N7 O2 |
| Salt: | HCl |
| Smiles: | CN1C(c2c(nc(N3CCCCC3)n2CCC/N=C2\CCCCN2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2297 |
| logD: | 0.5977 |
| logSw: | -2.281 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.321 |
| InChI Key: | HUEFVFHHQJMQCE-UHFFFAOYSA-N |