2-(2-methoxyethyl)-4-(3-phenylpyrrolidine-1-carbonyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
2-(2-methoxyethyl)-4-(3-phenylpyrrolidine-1-carbonyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
2-(2-methoxyethyl)-4-(3-phenylpyrrolidine-1-carbonyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-0612 |
| Compound Name: | 2-(2-methoxyethyl)-4-(3-phenylpyrrolidine-1-carbonyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 460.59 |
| Molecular Formula: | C27 H28 N2 O3 S |
| Smiles: | COCCN1C(C(C(N2CCC(C2)c2ccccc2)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1555 |
| logD: | 4.1555 |
| logSw: | -4.1625 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.938 |
| InChI Key: | VHFMIYSDQKFRJA-UHFFFAOYSA-N |