2-{[(2S)-1-(3-chloro-4-fluorobenzene-1-sulfonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-{[(2S)-1-(3-chloro-4-fluorobenzene-1-sulfonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1,2,3,4-tetrahydroisoquinoline
2-{[(2S)-1-(3-chloro-4-fluorobenzene-1-sulfonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | CM4573-7205 |
| Compound Name: | 2-{[(2S)-1-(3-chloro-4-fluorobenzene-1-sulfonyl)-4,4-difluoropyrrolidin-2-yl]methyl}-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 444.9 |
| Molecular Formula: | C20 H20 Cl F3 N2 O2 S |
| Smiles: | C1CN(Cc2ccccc12)C[C@@H]1CC(CN1S(c1ccc(c(c1)[Cl])F)(=O)=O)(F)F |
| Stereo: | ABSOLUTE |
| logP: | 4.1869 |
| logD: | 4.1868 |
| logSw: | -4.3966 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 36.066 |
| InChI Key: | COFLDAFKKRVOFQ-INIZCTEOSA-N |