1-[4-(4-methoxy-2-methylbenzoyl)-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-(4-methoxy-2-methylbenzoyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
1-[4-(4-methoxy-2-methylbenzoyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | SA53-0554 |
| Compound Name: | 1-[4-(4-methoxy-2-methylbenzoyl)-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-methylpropan-1-one |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C21 H29 N5 O3 |
| Smiles: | CC(C)C(N1CCCN(CC1c1nc(C)n[nH]1)C(c1ccc(cc1C)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0731 |
| logD: | 2.0725 |
| logSw: | -2.8556 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.514 |
| InChI Key: | ZQLAXXQYBCRWEH-SFHVURJKSA-N |