1-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}-2-methylpropan-1-one
1-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | SA53-0604 |
| Compound Name: | 1-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}-2-methylpropan-1-one |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C20 H31 N7 O2 |
| Smiles: | CC(C)C(N1CCCN(CC1c1nc(C)n[nH]1)C(CCn1c(C)cc(C)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.1283 |
| logD: | 0.1274 |
| logSw: | -1.256 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.428 |
| InChI Key: | ANEWZKSWXAQDCC-KRWDZBQOSA-N |