N-[3-(azepan-1-yl)propyl]-2-[4-oxo-2-(thiophen-2-yl)pyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-2-[4-oxo-2-(thiophen-2-yl)pyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide
N-[3-(azepan-1-yl)propyl]-2-[4-oxo-2-(thiophen-2-yl)pyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide
Compound characteristics
| Compound ID: | E016-0499 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-2-[4-oxo-2-(thiophen-2-yl)pyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C20 H26 N6 O2 S |
| Smiles: | C1CCCN(CC1)CCCNC(CN1C(c2cc(c3cccs3)nn2C=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3932 |
| logD: | -1.2354 |
| logSw: | -2.3778 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.79 |
| InChI Key: | JBBXDOJSPVZXKC-UHFFFAOYSA-N |