2-{[(2S)-4,4-difluoro-1-(4-fluoro-3-methylbenzene-1-sulfonyl)pyrrolidin-2-yl]methyl}-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-{[(2S)-4,4-difluoro-1-(4-fluoro-3-methylbenzene-1-sulfonyl)pyrrolidin-2-yl]methyl}-1,2,3,4-tetrahydroisoquinoline
2-{[(2S)-4,4-difluoro-1-(4-fluoro-3-methylbenzene-1-sulfonyl)pyrrolidin-2-yl]methyl}-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | CM4573-7638 |
| Compound Name: | 2-{[(2S)-4,4-difluoro-1-(4-fluoro-3-methylbenzene-1-sulfonyl)pyrrolidin-2-yl]methyl}-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 424.48 |
| Molecular Formula: | C21 H23 F3 N2 O2 S |
| Smiles: | Cc1cc(ccc1F)S(N1CC(C[C@H]1CN1CCc2ccccc2C1)(F)F)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.1863 |
| logD: | 4.1862 |
| logSw: | -4.2148 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 36.066 |
| InChI Key: | HQJHXCPTJUWFLH-SFHVURJKSA-N |