1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-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]ethan-1-one
1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | SA53-0288 |
| Compound Name: | 1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]ethan-1-one |
| Molecular Weight: | 313.4 |
| Molecular Formula: | C17 H23 N5 O |
| Smiles: | CC(N1CCCN(Cc2ccccc2)C(C1)c1nc(C)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.218 |
| logD: | 1.2149 |
| logSw: | -1.7898 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.688 |
| InChI Key: | JURZRFDLDTVDFX-INIZCTEOSA-N |