[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](cyclopropyl)methanone
Chemical Structure Depiction of
[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](cyclopropyl)methanone
[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](cyclopropyl)methanone
Compound characteristics
| Compound ID: | SA53-0861 |
| Compound Name: | [4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](cyclopropyl)methanone |
| Molecular Weight: | 353.42 |
| Molecular Formula: | C19 H23 N5 O2 |
| Smiles: | Cc1nc(C2CN(CCCN2C(c2ccccc2)=O)C(C2CC2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3912 |
| logD: | 1.3906 |
| logSw: | -1.8432 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.222 |
| InChI Key: | MBQHMTSTHJINSB-INIZCTEOSA-N |