N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | E020-0521 |
| Compound Name: | N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide |
| Molecular Weight: | 381.48 |
| Molecular Formula: | C21 H27 N5 O2 |
| Smiles: | CCN(CCCNC(CN1C(c2cccn2C(C)=N1)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.6994 |
| logD: | 2.6671 |
| logSw: | -2.804 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.602 |
| InChI Key: | KKSBNYODKGVJLL-UHFFFAOYSA-N |