1-[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one
Chemical Structure Depiction of
1-[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one
1-[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | SA53-0919 |
| Compound Name: | 1-[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one |
| Molecular Weight: | 435.53 |
| Molecular Formula: | C23 H29 N7 O2 |
| Smiles: | Cc1cc(C)n(CCC(N2CCCN(C(C2)c2nc(C)n[nH]2)C(c2ccccc2)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.597 |
| logD: | 0.5961 |
| logSw: | -1.8735 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.157 |
| InChI Key: | MNUSZLFYDCSHFK-FQEVSTJZSA-N |