(1-{[(2S,4S)-1-(5-chlorothiophene-2-sulfonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
(1-{[(2S,4S)-1-(5-chlorothiophene-2-sulfonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
(1-{[(2S,4S)-1-(5-chlorothiophene-2-sulfonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | SB21-0297 |
| Compound Name: | (1-{[(2S,4S)-1-(5-chlorothiophene-2-sulfonyl)-4-fluoropyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 447.94 |
| Molecular Formula: | C16 H19 Cl F N5 O3 S2 |
| Smiles: | C1CCN(C1)C(c1cn(C[C@@H]2C[C@@H](CN2S(c2ccc(s2)[Cl])(=O)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.887 |
| logD: | 1.887 |
| logSw: | -2.632 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.218 |
| InChI Key: | BFBHIDADDWAWQC-NEPJUHHUSA-N |