N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[4-oxo-2-(thiophen-2-yl)pyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide
Chemical Structure Depiction of
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[4-oxo-2-(thiophen-2-yl)pyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[4-oxo-2-(thiophen-2-yl)pyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide
Compound characteristics
| Compound ID: | E016-0557 |
| Compound Name: | N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[4-oxo-2-(thiophen-2-yl)pyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide |
| Molecular Weight: | 437.48 |
| Molecular Formula: | C21 H19 N5 O4 S |
| Smiles: | CC(c1ccc2c(c1)OCCO2)NC(CN1C(c2cc(c3cccs3)nn2C=N1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2553 |
| logD: | 1.2553 |
| logSw: | -2.5715 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.621 |
| InChI Key: | FMMLWZQSYYCZGO-ZDUSSCGKSA-N |