6,8-dimethyl-3-(phenylethynyl)pyrimido[4,5-c]pyridazine-5,7(6H,8H)-dione
Chemical Structure Depiction of
6,8-dimethyl-3-(phenylethynyl)pyrimido[4,5-c]pyridazine-5,7(6H,8H)-dione
6,8-dimethyl-3-(phenylethynyl)pyrimido[4,5-c]pyridazine-5,7(6H,8H)-dione
Compound characteristics
| Compound ID: | 8018-7059 |
| Compound Name: | 6,8-dimethyl-3-(phenylethynyl)pyrimido[4,5-c]pyridazine-5,7(6H,8H)-dione |
| Molecular Weight: | 292.29 |
| Molecular Formula: | C16 H12 N4 O2 |
| Smiles: | CN1C(c2cc(C#Cc3ccccc3)nnc2N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8108 |
| logD: | 2.8108 |
| logSw: | -3.4576 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.591 |
| InChI Key: | PSELHQWFDUMXSE-UHFFFAOYSA-N |