3-cyclopropyl-5-[rel-(3R,4R)-1-[(4-fluorophenyl)methanesulfonyl]-4-(methoxymethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Chemical Structure Depiction of
3-cyclopropyl-5-[rel-(3R,4R)-1-[(4-fluorophenyl)methanesulfonyl]-4-(methoxymethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
3-cyclopropyl-5-[rel-(3R,4R)-1-[(4-fluorophenyl)methanesulfonyl]-4-(methoxymethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB32-0763 |
| Compound Name: | 3-cyclopropyl-5-[rel-(3R,4R)-1-[(4-fluorophenyl)methanesulfonyl]-4-(methoxymethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C18 H23 F N4 O3 S |
| Smiles: | COC[C@@H]1CN(C[C@H]1c1nc(C2CC2)n[nH]1)S(Cc1ccc(cc1)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9812 |
| logD: | 1.9792 |
| logSw: | -2.6059 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.537 |
| InChI Key: | GRLDVNAQWOQIHC-GOEBONIOSA-N |