1-[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-phenoxyethan-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-phenoxyethan-1-one
1-[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | SA53-0897 |
| Compound Name: | 1-[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-phenoxyethan-1-one |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C23 H25 N5 O3 |
| Smiles: | Cc1nc(C2CN(CCCN2C(c2ccccc2)=O)C(COc2ccccc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7544 |
| logD: | 1.7538 |
| logSw: | -2.0056 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.671 |
| InChI Key: | OIWLBFGDJLVYJT-FQEVSTJZSA-N |