1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
Chemical Structure Depiction of
1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
Compound characteristics
| Compound ID: | SA53-0285 |
| Compound Name: | 1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one |
| Molecular Weight: | 422.53 |
| Molecular Formula: | C23 H30 N6 O2 |
| Smiles: | Cc1c(CCC(N2CCCN(Cc3ccccc3)C(C2)c2nc(C)n[nH]2)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.033 |
| logD: | 2.0294 |
| logSw: | -2.4103 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.46 |
| InChI Key: | UTJQMKBOOPPHIJ-NRFANRHFSA-N |