6-{4-[3-(4-ethylphenyl)-1H-pyrazole-5-carbonyl]-1,4-diazepan-1-yl}-2-(4-methylphenyl)pyridazin-3(2H)-one
Chemical Structure Depiction of
6-{4-[3-(4-ethylphenyl)-1H-pyrazole-5-carbonyl]-1,4-diazepan-1-yl}-2-(4-methylphenyl)pyridazin-3(2H)-one
6-{4-[3-(4-ethylphenyl)-1H-pyrazole-5-carbonyl]-1,4-diazepan-1-yl}-2-(4-methylphenyl)pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | F977-0814 |
| Compound Name: | 6-{4-[3-(4-ethylphenyl)-1H-pyrazole-5-carbonyl]-1,4-diazepan-1-yl}-2-(4-methylphenyl)pyridazin-3(2H)-one |
| Molecular Weight: | 482.59 |
| Molecular Formula: | C28 H30 N6 O2 |
| Smiles: | CCc1ccc(cc1)c1cc(C(N2CCCN(CC2)C2C=CC(N(c3ccc(C)cc3)N=2)=O)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 4.8721 |
| logD: | 4.8715 |
| logSw: | -4.5644 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.982 |
| InChI Key: | PDVZQFBGFBUWNB-UHFFFAOYSA-N |