1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-3-(4-methyl-1H-pyrazol-1-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-(4-methyl-1H-pyrazol-1-yl)propan-1-one
1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-3-(4-methyl-1H-pyrazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | SA53-0312 |
| Compound Name: | 1-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-3-(4-methyl-1H-pyrazol-1-yl)propan-1-one |
| Molecular Weight: | 407.52 |
| Molecular Formula: | C22 H29 N7 O |
| Smiles: | Cc1cnn(CCC(N2CCCN(Cc3ccccc3)C(C2)c2nc(C)n[nH]2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4134 |
| logD: | 1.4098 |
| logSw: | -1.8424 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.177 |
| InChI Key: | OPOUUAJZSZRAKB-FQEVSTJZSA-N |