[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](3-methylthiophen-2-yl)methanone
Chemical Structure Depiction of
[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](3-methylthiophen-2-yl)methanone
[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](3-methylthiophen-2-yl)methanone
Compound characteristics
| Compound ID: | SA53-0862 |
| Compound Name: | [4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](3-methylthiophen-2-yl)methanone |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C21 H23 N5 O2 S |
| Smiles: | Cc1ccsc1C(N1CCCN(C(C1)c1nc(C)n[nH]1)C(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4727 |
| logD: | 2.472 |
| logSw: | -2.597 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.717 |
| InChI Key: | GLNVTWKUOWZEPH-KRWDZBQOSA-N |