[4-benzyl-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-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](3-methylthiophen-2-yl)methanone
[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](3-methylthiophen-2-yl)methanone
Compound characteristics
| Compound ID: | SA53-0228 |
| Compound Name: | [4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](3-methylthiophen-2-yl)methanone |
| Molecular Weight: | 395.53 |
| Molecular Formula: | C21 H25 N5 O S |
| Smiles: | Cc1ccsc1C(N1CCCN(Cc2ccccc2)C(C1)c1nc(C)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0073 |
| logD: | 3.0057 |
| logSw: | -3.1133 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.967 |
| InChI Key: | ZMEDWEZMMILHAA-SFHVURJKSA-N |