ethyl 4-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
ethyl 4-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
Compound ID: | G937-0479 |
Compound Name: | ethyl 4-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate |
Molecular Weight: | 487.62 |
Molecular Formula: | C25 H33 N3 O5 S |
Smiles: | CCOC(c1c(c(C)n(C)c1C)S(N1CCC(CC1)C(N1CCc2ccccc2C1)=O)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.4323 |
logD: | 2.4323 |
logSw: | -2.5434 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 71.792 |
InChI Key: | RYRDCRKAUAVNQA-UHFFFAOYSA-N |