ethyl 4-[2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)pyrrolidine-1-sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)pyrrolidine-1-sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate
ethyl 4-[2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)pyrrolidine-1-sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | F065-0479 |
| Compound Name: | ethyl 4-[2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)pyrrolidine-1-sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C22 H27 N3 O5 S |
| Smiles: | CCOC(c1cc(cn1C)S(N1CCCC1C(N1CCc2ccccc2C1)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9077 |
| logD: | 1.9077 |
| logSw: | -2.557 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.16 |
| InChI Key: | YLAAOXASRUJMEK-IBGZPJMESA-N |