[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](furan-2-yl)methanone
Chemical Structure Depiction of
[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](furan-2-yl)methanone
[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](furan-2-yl)methanone
Compound characteristics
| Compound ID: | SA53-0904 |
| Compound Name: | [4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](furan-2-yl)methanone |
| Molecular Weight: | 379.42 |
| Molecular Formula: | C20 H21 N5 O3 |
| Smiles: | Cc1nc(C2CN(CCCN2C(c2ccccc2)=O)C(c2ccco2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3873 |
| logD: | 1.3867 |
| logSw: | -1.6807 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.277 |
| InChI Key: | JLVKSVFZFQBCKP-INIZCTEOSA-N |