5-[rel-(3R,4R)-1-(2,3-dihydro-1H-indene-5-sulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-[rel-(3R,4R)-1-(2,3-dihydro-1H-indene-5-sulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
5-[rel-(3R,4R)-1-(2,3-dihydro-1H-indene-5-sulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-0096 |
| Compound Name: | 5-[rel-(3R,4R)-1-(2,3-dihydro-1H-indene-5-sulfonyl)-4-(fluoromethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 364.44 |
| Molecular Formula: | C17 H21 F N4 O2 S |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2CF)S(c2ccc3CCCc3c2)(=O)=O)[nH]n1 |
| Stereo: | RELATIVE |
| logP: | 2.2239 |
| logD: | 2.2234 |
| logSw: | -2.958 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.867 |
| InChI Key: | XZUIKIDZVFCLBP-GDBMZVCRSA-N |