[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](thiophen-2-yl)methanone
Chemical Structure Depiction of
[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](thiophen-2-yl)methanone
[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](thiophen-2-yl)methanone
Compound characteristics
| Compound ID: | SA53-0225 |
| Compound Name: | [4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl](thiophen-2-yl)methanone |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C20 H23 N5 O S |
| Smiles: | Cc1nc(C2CN(CCCN2Cc2ccccc2)C(c2cccs2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6415 |
| logD: | 2.6399 |
| logSw: | -2.8487 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.967 |
| InChI Key: | ISIPZWZAUNYHAV-KRWDZBQOSA-N |