7-(4-benzylpiperidine-1-sulfonyl)-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
Chemical Structure Depiction of
7-(4-benzylpiperidine-1-sulfonyl)-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
7-(4-benzylpiperidine-1-sulfonyl)-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
Compound characteristics
| Compound ID: | P666-2155 |
| Compound Name: | 7-(4-benzylpiperidine-1-sulfonyl)-4-ethylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C20 H24 N4 O3 S |
| Smiles: | CCC1=NNC(c2cc(cn12)S(N1CCC(CC1)Cc1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1675 |
| logD: | 3.1667 |
| logSw: | -3.4315 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.885 |
| InChI Key: | MLNIOINGXVKZKA-UHFFFAOYSA-N |