ethyl 4-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-sulfonyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-sulfonyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
ethyl 4-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-sulfonyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | G070-1184 |
| Compound Name: | ethyl 4-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]piperidine-1-sulfonyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 473.63 |
| Molecular Formula: | C25 H35 N3 O4 S |
| Smiles: | CCOC(c1c(c(C)n(C)c1C)S(N1CCC(CC1)CN1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2216 |
| logD: | 1.7464 |
| logSw: | -3.4593 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.877 |
| InChI Key: | BXUADXFOQHDRIX-UHFFFAOYSA-N |