2-{[(2S)-1-(4-ethoxybenzene-1-sulfonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-{[(2S)-1-(4-ethoxybenzene-1-sulfonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1,2,3,4-tetrahydroisoquinoline
2-{[(2S)-1-(4-ethoxybenzene-1-sulfonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | CM4573-7258 |
| Compound Name: | 2-{[(2S)-1-(4-ethoxybenzene-1-sulfonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 436.52 |
| Molecular Formula: | C22 H26 F2 N2 O3 S |
| Smiles: | CCOc1ccc(cc1)S(N1CC(C[C@H]1CN1CCc2ccccc2C1)(F)F)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.0599 |
| logD: | 4.0597 |
| logSw: | -3.92 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.19 |
| InChI Key: | UKALBCYXGROPBK-IBGZPJMESA-N |