ethyl 4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | F378-0086 |
| Compound Name: | ethyl 4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C18 H22 N2 O4 S |
| Smiles: | CCOC(c1c(C)c(c(C)[nH]1)S(N1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9626 |
| logD: | 2.9626 |
| logSw: | -3.263 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.346 |
| InChI Key: | AERHTYPJGYPPST-UHFFFAOYSA-N |