1-(2-{2-[(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methylidene]hydrazinyl}-2-oxoethyl)pyridin-1-ium--chloride (1/1)
Chemical Structure Depiction of
1-(2-{2-[(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methylidene]hydrazinyl}-2-oxoethyl)pyridin-1-ium--chloride (1/1)
1-(2-{2-[(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methylidene]hydrazinyl}-2-oxoethyl)pyridin-1-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 4153-0026 |
| Compound Name: | 1-(2-{2-[(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methylidene]hydrazinyl}-2-oxoethyl)pyridin-1-ium--chloride (1/1) |
| Molecular Weight: | 352.78 |
| Molecular Formula: | C14 H17 N6 O3 |
| Salt: | Cl- |
| Smiles: | CN1C(=C(/C=N/NC(C[n+]2ccccc2)=O)C(N(C)C1=O)=O)N |
| Stereo: | ACHIRAL |
| logP: | -0.6129 |
| logD: | -0.6139 |
| logSw: | -0.5175 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.576 |
| InChI Key: | VMTVHKMHTMVUGW-UHFFFAOYSA-O |