N-{2-[butyl(ethyl)amino]ethyl}-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-{2-[butyl(ethyl)amino]ethyl}-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide
N-{2-[butyl(ethyl)amino]ethyl}-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | E020-0532 |
| Compound Name: | N-{2-[butyl(ethyl)amino]ethyl}-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide |
| Molecular Weight: | 333.43 |
| Molecular Formula: | C17 H27 N5 O2 |
| Smiles: | CCCCN(CC)CCNC(CN1C(c2cccn2C(C)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.587 |
| logD: | -0.0173 |
| logSw: | -2.2309 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.548 |
| InChI Key: | IITKXZVFJSMTJU-UHFFFAOYSA-N |