1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-ethoxyethan-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-ethoxyethan-1-one
1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-ethoxyethan-1-one
Compound characteristics
| Compound ID: | SA53-0237 |
| Compound Name: | 1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-ethoxyethan-1-one |
| Molecular Weight: | 357.45 |
| Molecular Formula: | C19 H27 N5 O2 |
| Smiles: | CCOCC(N1CCCN(Cc2ccccc2)C(C1)c1nc(C)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.091 |
| logD: | 1.0872 |
| logSw: | -1.8382 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.752 |
| InChI Key: | DQEINZOMHOEWQW-KRWDZBQOSA-N |