1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-(pyridin-3-yl)ethan-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-(pyridin-3-yl)ethan-1-one
1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-(pyridin-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | SA53-0245 |
| Compound Name: | 1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-(pyridin-3-yl)ethan-1-one |
| Molecular Weight: | 390.49 |
| Molecular Formula: | C22 H26 N6 O |
| Smiles: | Cc1nc(C2CN(CCCN2Cc2ccccc2)C(Cc2cccnc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5283 |
| logD: | 1.5191 |
| logSw: | -1.3442 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.939 |
| InChI Key: | DXSMLESUMZEPGB-FQEVSTJZSA-N |