methyl 4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate
methyl 4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | E138-0999 |
| Compound Name: | methyl 4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 334.39 |
| Molecular Formula: | C16 H18 N2 O4 S |
| Smiles: | Cn1cc(cc1C(=O)OC)S(N1CCc2ccccc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9631 |
| logD: | 1.9631 |
| logSw: | -2.5989 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.095 |
| InChI Key: | QTTDIYPKVSXPAO-UHFFFAOYSA-N |