methyl 4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
Compound ID: | F639-0086 |
Compound Name: | methyl 4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1,5-dimethyl-1H-pyrrole-2-carboxylate |
Molecular Weight: | 348.42 |
Molecular Formula: | C17 H20 N2 O4 S |
Smiles: | Cc1c(cc(C(=O)OC)n1C)S(N1CCc2ccccc2C1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.1416 |
logD: | 2.1416 |
logSw: | -2.7115 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 54.818 |
InChI Key: | GJAZSDUYVMZRHU-UHFFFAOYSA-N |