2-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)cyclohexane-1,3-dione
Chemical Structure Depiction of
2-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)cyclohexane-1,3-dione
2-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)cyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 3484-0571 |
| Compound Name: | 2-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)cyclohexane-1,3-dione |
| Molecular Weight: | 247.29 |
| Molecular Formula: | C13 H17 N3 O2 |
| Smiles: | C1CC(C(=CNCCCn2ccnc2)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4344 |
| logD: | -0.6763 |
| logSw: | -0.3367 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.429 |
| InChI Key: | DWTKWRPPVSVCHC-UHFFFAOYSA-N |