methyl 4-chloro-2-({4-[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperazine-1-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-({4-[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperazine-1-carbonyl}amino)benzoate
methyl 4-chloro-2-({4-[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperazine-1-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | F978-0321 |
| Compound Name: | methyl 4-chloro-2-({4-[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperazine-1-carbonyl}amino)benzoate |
| Molecular Weight: | 495.97 |
| Molecular Formula: | C25 H26 Cl N5 O4 |
| Smiles: | Cc1ccc(cc1C)N1C(C=CC(=N1)N1CCN(CC1)C(Nc1cc(ccc1C(=O)OC)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3884 |
| logD: | 4.3296 |
| logSw: | -4.5673 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.458 |
| InChI Key: | BVKSXLLTHLWTBE-UHFFFAOYSA-N |