methyl 4-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
methyl 4-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G070-1574 |
| Compound Name: | methyl 4-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 431.55 |
| Molecular Formula: | C22 H29 N3 O4 S |
| Smiles: | Cn1cc(cc1C(=O)OC)S(N1CCC(CC1)CN1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6559 |
| logD: | 1.1807 |
| logSw: | -2.9898 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.828 |
| InChI Key: | QKKPVPUSKMVMIJ-UHFFFAOYSA-N |