2-(3,4-dimethylphenyl)-6-{4-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1,4-diazepan-1-yl}pyridazin-3(2H)-one
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-6-{4-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1,4-diazepan-1-yl}pyridazin-3(2H)-one
2-(3,4-dimethylphenyl)-6-{4-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1,4-diazepan-1-yl}pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | F977-0393 |
| Compound Name: | 2-(3,4-dimethylphenyl)-6-{4-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1,4-diazepan-1-yl}pyridazin-3(2H)-one |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C28 H30 N6 O3 |
| Smiles: | Cc1ccc(cc1C)N1C(C=CC(=N1)N1CCCN(CC1)C(c1cc(c2ccccc2OC)n[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2105 |
| logD: | 4.2099 |
| logSw: | -4.2972 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.612 |
| InChI Key: | YLYRPGOAVYFXFL-UHFFFAOYSA-N |