{4-[(3-methylthiophen-2-yl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}(pyridin-4-yl)methanone
Chemical Structure Depiction of
{4-[(3-methylthiophen-2-yl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}(pyridin-4-yl)methanone
{4-[(3-methylthiophen-2-yl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}(pyridin-4-yl)methanone
Compound characteristics
| Compound ID: | SA53-0981 |
| Compound Name: | {4-[(3-methylthiophen-2-yl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}(pyridin-4-yl)methanone |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C20 H24 N6 O S |
| Smiles: | Cc1ccsc1CN1CCCN(C(C1)c1nc(C)n[nH]1)C(c1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6125 |
| logD: | 1.5775 |
| logSw: | -2.0639 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.23 |
| InChI Key: | VHYLNEMADMOYFJ-KRWDZBQOSA-N |