[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](1,5-dimethyl-1H-pyrazol-3-yl)methanone
Chemical Structure Depiction of
[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](1,5-dimethyl-1H-pyrazol-3-yl)methanone
[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](1,5-dimethyl-1H-pyrazol-3-yl)methanone
Compound characteristics
| Compound ID: | SA53-0935 |
| Compound Name: | [4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](1,5-dimethyl-1H-pyrazol-3-yl)methanone |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C21 H25 N7 O2 |
| Smiles: | Cc1nc(C2CN(CCCN2C(c2ccccc2)=O)C(c2cc(C)n(C)n2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7883 |
| logD: | 0.7876 |
| logSw: | -1.8886 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.186 |
| InChI Key: | MGZXOOOETHYOIY-SFHVURJKSA-N |