N-[rel-(3R,4S)-1-(3-fluorobenzene-1-sulfonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-(3-fluorobenzene-1-sulfonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[rel-(3R,4S)-1-(3-fluorobenzene-1-sulfonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB33-1221 |
| Compound Name: | N-[rel-(3R,4S)-1-(3-fluorobenzene-1-sulfonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 429.47 |
| Molecular Formula: | C20 H20 F N5 O3 S |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2NC(c2ccccc2)=O)S(c2cccc(c2)F)(=O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8513 |
| logD: | 1.8508 |
| logSw: | -2.7907 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.916 |
| InChI Key: | QRYCWVBZGULZHR-QZTJIDSGSA-N |