methyl 4-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-sulfonyl}-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-sulfonyl}-1H-pyrrole-2-carboxylate
methyl 4-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-sulfonyl}-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G070-1378 |
| Compound Name: | methyl 4-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-sulfonyl}-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C21 H27 N3 O4 S |
| Smiles: | COC(c1cc(c[nH]1)S(N1CCC(CC1)CN1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0123 |
| logD: | 1.537 |
| logSw: | -3.5876 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.674 |
| InChI Key: | FEIIWVSZRVRAFI-UHFFFAOYSA-N |