7-(4-benzylpiperidine-1-sulfonyl)-2,4-dimethylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
Chemical Structure Depiction of
7-(4-benzylpiperidine-1-sulfonyl)-2,4-dimethylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
7-(4-benzylpiperidine-1-sulfonyl)-2,4-dimethylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
Compound characteristics
| Compound ID: | P666-1343 |
| Compound Name: | 7-(4-benzylpiperidine-1-sulfonyl)-2,4-dimethylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C20 H24 N4 O3 S |
| Smiles: | CC1=NN(C)C(c2cc(cn12)S(N1CCC(CC1)Cc1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8846 |
| logD: | 2.8844 |
| logSw: | -3.3294 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.582 |
| InChI Key: | NSKKMQLALMECMX-UHFFFAOYSA-N |