3-cyclopropyl-5-[rel-(3R,4R)-4-(fluoromethyl)-1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Chemical Structure Depiction of
3-cyclopropyl-5-[rel-(3R,4R)-4-(fluoromethyl)-1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
3-cyclopropyl-5-[rel-(3R,4R)-4-(fluoromethyl)-1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB34-0104 |
| Compound Name: | 3-cyclopropyl-5-[rel-(3R,4R)-4-(fluoromethyl)-1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)pyrrolidin-3-yl]-1H-1,2,4-triazole |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C20 H25 F N4 O2 S |
| Smiles: | C1CCc2cc(ccc2C1)S(N1C[C@@H](CF)[C@@H](C1)c1nc(C2CC2)n[nH]1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5964 |
| logD: | 3.5935 |
| logSw: | -3.7996 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.139 |
| InChI Key: | UBKKZGANINYAEH-SJLPKXTDSA-N |