[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](2,4-dimethoxyphenyl)methanone
Chemical Structure Depiction of
[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](2,4-dimethoxyphenyl)methanone
[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](2,4-dimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | SA53-0867 |
| Compound Name: | [4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](2,4-dimethoxyphenyl)methanone |
| Molecular Weight: | 449.51 |
| Molecular Formula: | C24 H27 N5 O4 |
| Smiles: | Cc1nc(C2CN(CCCN2C(c2ccccc2)=O)C(c2ccc(cc2OC)OC)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0527 |
| logD: | 2.0521 |
| logSw: | -3.0666 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.873 |
| InChI Key: | CVEQQPFKDKCPFJ-FQEVSTJZSA-N |