7-(2-hydroxy-3-{[(piperidin-1-yl)methylidene]amino}propyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Chemical Structure Depiction of
7-(2-hydroxy-3-{[(piperidin-1-yl)methylidene]amino}propyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
7-(2-hydroxy-3-{[(piperidin-1-yl)methylidene]amino}propyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8012-3986 |
| Compound Name: | 7-(2-hydroxy-3-{[(piperidin-1-yl)methylidene]amino}propyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1) |
| Molecular Weight: | 384.86 |
| Molecular Formula: | C16 H24 N6 O3 |
| Salt: | HCl |
| Smiles: | CN1C(c2c(ncn2CC(C/N=C/N2CCCCC2)O)N(C)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.2331 |
| logD: | -0.2571 |
| logSw: | -0.5718 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.477 |
| InChI Key: | VCQMCFCIZYNLRA-YXHQGMJNSA-N |