2-{[(2S)-4,4-difluoro-1-(3-methoxybenzene-1-sulfonyl)pyrrolidin-2-yl]methyl}-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-{[(2S)-4,4-difluoro-1-(3-methoxybenzene-1-sulfonyl)pyrrolidin-2-yl]methyl}-1,2,3,4-tetrahydroisoquinoline
2-{[(2S)-4,4-difluoro-1-(3-methoxybenzene-1-sulfonyl)pyrrolidin-2-yl]methyl}-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | CM4573-7713 |
| Compound Name: | 2-{[(2S)-4,4-difluoro-1-(3-methoxybenzene-1-sulfonyl)pyrrolidin-2-yl]methyl}-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 422.49 |
| Molecular Formula: | C21 H24 F2 N2 O3 S |
| Smiles: | COc1cccc(c1)S(N1CC(C[C@H]1CN1CCc2ccccc2C1)(F)F)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.6705 |
| logD: | 3.6704 |
| logSw: | -3.9806 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.61 |
| InChI Key: | BTVPEVWTQUGTLZ-SFHVURJKSA-N |