ethyl 4-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
ethyl 4-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | G070-0083 |
| Compound Name: | ethyl 4-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 473.59 |
| Molecular Formula: | C24 H31 N3 O5 S |
| Smiles: | CCOC(c1c(c(C)[nH]c1C)S(N1CCC(CC1)C(N1CCc2ccccc2C1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7645 |
| logD: | 2.7645 |
| logSw: | -3.0831 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.801 |
| InChI Key: | SNBJASMIFXAZDZ-UHFFFAOYSA-N |