7-(4-benzylpiperidine-1-sulfonyl)-4-ethyl-2-methylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
Chemical Structure Depiction of
7-(4-benzylpiperidine-1-sulfonyl)-4-ethyl-2-methylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
7-(4-benzylpiperidine-1-sulfonyl)-4-ethyl-2-methylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
Compound characteristics
| Compound ID: | P666-2369 |
| Compound Name: | 7-(4-benzylpiperidine-1-sulfonyl)-4-ethyl-2-methylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C21 H26 N4 O3 S |
| Smiles: | CCC1=NN(C)C(c2cc(cn12)S(N1CCC(CC1)Cc1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2212 |
| logD: | 3.2207 |
| logSw: | -3.4179 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.673 |
| InChI Key: | MTHAHMGVPRJFLP-UHFFFAOYSA-N |