[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](5-methyl-1,2-oxazol-3-yl)methanone
Chemical Structure Depiction of
[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](5-methyl-1,2-oxazol-3-yl)methanone
[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](5-methyl-1,2-oxazol-3-yl)methanone
Compound characteristics
| Compound ID: | SA53-0853 |
| Compound Name: | [4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](5-methyl-1,2-oxazol-3-yl)methanone |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C20 H22 N6 O3 |
| Smiles: | Cc1nc(C2CN(CCCN2C(c2ccccc2)=O)C(c2cc(C)on2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5386 |
| logD: | 1.5379 |
| logSw: | -2.114 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.927 |
| InChI Key: | QNZXKEOWJLKXCG-KRWDZBQOSA-N |