1-[7-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(1H-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]-2-phenylethan-1-one
Chemical Structure Depiction of
1-[7-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(1H-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]-2-phenylethan-1-one
1-[7-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(1H-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]-2-phenylethan-1-one
Compound characteristics
| Compound ID: | ZC44-0249 |
| Compound Name: | 1-[7-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(1H-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]-2-phenylethan-1-one |
| Molecular Weight: | 393.45 |
| Molecular Formula: | C20 H23 N7 O2 |
| Smiles: | Cc1nc(C2CCN(CCN2C(Cc2ccccc2)=O)C(c2cn[nH]c2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7695 |
| logD: | 0.7689 |
| logSw: | -1.5122 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.859 |
| InChI Key: | KRUASTWSHJUYIK-QGZVFWFLSA-N |