1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-(2,5-dimethoxyphenyl)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-(2,5-dimethoxyphenyl)ethan-1-one
1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-(2,5-dimethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | SA53-0272 |
| Compound Name: | 1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-(2,5-dimethoxyphenyl)ethan-1-one |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C25 H31 N5 O3 |
| Smiles: | Cc1nc(C2CN(CCCN2Cc2ccccc2)C(Cc2cc(ccc2OC)OC)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8844 |
| logD: | 2.8803 |
| logSw: | -3.3558 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.596 |
| InChI Key: | KWBXRQYYCULVRW-QFIPXVFZSA-N |