1-benzyl-4-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-6-hydroxy-1,4-diazepan-2-one
Chemical Structure Depiction of
1-benzyl-4-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-6-hydroxy-1,4-diazepan-2-one
1-benzyl-4-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-6-hydroxy-1,4-diazepan-2-one
Compound characteristics
| Compound ID: | SA85-1225 |
| Compound Name: | 1-benzyl-4-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-6-hydroxy-1,4-diazepan-2-one |
| Molecular Weight: | 418.49 |
| Molecular Formula: | C24 H26 N4 O3 |
| Smiles: | Cc1ccc(cc1C)c1cc(C(N2CC(CN(Cc3ccccc3)C(C2)=O)O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0094 |
| logD: | 3.0091 |
| logSw: | -3.1964 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.934 |
| InChI Key: | MMBMJJFAEULKHM-HXUWFJFHSA-N |