3-methyl-1-[4-(2-methylpropanoyl)-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]butan-1-one
Chemical Structure Depiction of
3-methyl-1-[4-(2-methylpropanoyl)-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]butan-1-one
3-methyl-1-[4-(2-methylpropanoyl)-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]butan-1-one
Compound characteristics
| Compound ID: | SA53-0546 |
| Compound Name: | 3-methyl-1-[4-(2-methylpropanoyl)-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]butan-1-one |
| Molecular Weight: | 335.45 |
| Molecular Formula: | C17 H29 N5 O2 |
| Smiles: | CC(C)CC(N1CCCN(C(C1)c1nc(C)n[nH]1)C(C(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4941 |
| logD: | 1.4934 |
| logSw: | -1.87 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.715 |
| InChI Key: | ILCIDZPDESRTNF-AWEZNQCLSA-N |