1-[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]-2-(thiophen-3-yl)ethan-1-one
Chemical Structure Depiction of
1-[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]-2-(thiophen-3-yl)ethan-1-one
1-[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]-2-(thiophen-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | SA53-0988 |
| Compound Name: | 1-[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]-2-(thiophen-3-yl)ethan-1-one |
| Molecular Weight: | 410.5 |
| Molecular Formula: | C20 H22 N6 O2 S |
| Smiles: | Cc1nc(C2CN(CCCN2C(c2ccncc2)=O)C(Cc2ccsc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8886 |
| logD: | 0.8855 |
| logSw: | -1.6812 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.618 |
| InChI Key: | YKMIWWMQHLRZIH-KRWDZBQOSA-N |