2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-5-[(3-ethoxyphenyl)methyl]tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
Chemical Structure Depiction of
2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-5-[(3-ethoxyphenyl)methyl]tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-5-[(3-ethoxyphenyl)methyl]tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
Compound characteristics
| Compound ID: | S296-2655 |
| Compound Name: | 2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-5-[(3-ethoxyphenyl)methyl]tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C26 H31 N3 O3 |
| Smiles: | CCOc1cccc(CN2C[C@H]3C(N(CCN4CCc5ccccc5C4)C([C@H]3C2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.713 |
| logD: | -0.0666 |
| logSw: | -2.9215 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.203 |
| InChI Key: | PMVTUJAZFJZLBG-ZEQRLZLVSA-N |