1-[4-benzoyl-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-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-ethoxyethan-1-one
1-[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-ethoxyethan-1-one
Compound characteristics
| Compound ID: | SA53-0870 |
| Compound Name: | 1-[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-ethoxyethan-1-one |
| Molecular Weight: | 371.44 |
| Molecular Formula: | C19 H25 N5 O3 |
| Smiles: | CCOCC(N1CCCN(C(C1)c1nc(C)n[nH]1)C(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5564 |
| logD: | 0.5557 |
| logSw: | -1.7933 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.502 |
| InChI Key: | DYIFKGLTRVFUGC-INIZCTEOSA-N |