1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-cyclopropylethan-1-one
Chemical Structure Depiction of
1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-cyclopropylethan-1-one
1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-cyclopropylethan-1-one
Compound characteristics
| Compound ID: | SA53-0263 |
| Compound Name: | 1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-cyclopropylethan-1-one |
| Molecular Weight: | 353.47 |
| Molecular Formula: | C20 H27 N5 O |
| Smiles: | Cc1nc(C2CN(CCCN2Cc2ccccc2)C(CC2CC2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0456 |
| logD: | 2.0421 |
| logSw: | -2.5023 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.945 |
| InChI Key: | FOAGWBHMABRIKZ-SFHVURJKSA-N |