N-{3-[benzyl(propan-2-yl)amino]propyl}-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-{3-[benzyl(propan-2-yl)amino]propyl}-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide
N-{3-[benzyl(propan-2-yl)amino]propyl}-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | E020-0258 |
| Compound Name: | N-{3-[benzyl(propan-2-yl)amino]propyl}-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide |
| Molecular Weight: | 381.48 |
| Molecular Formula: | C21 H27 N5 O2 |
| Smiles: | CC(C)N(CCCNC(CN1C(c2cccn2C=N1)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.6477 |
| logD: | -0.3561 |
| logSw: | -2.172 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.361 |
| InChI Key: | WLKRFRXQRCKLSM-UHFFFAOYSA-N |