5-[rel-(3R,4R)-4-(methoxymethyl)-1-(phenylmethanesulfonyl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-[rel-(3R,4R)-4-(methoxymethyl)-1-(phenylmethanesulfonyl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole
5-[rel-(3R,4R)-4-(methoxymethyl)-1-(phenylmethanesulfonyl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB32-0954 |
| Compound Name: | 5-[rel-(3R,4R)-4-(methoxymethyl)-1-(phenylmethanesulfonyl)pyrrolidin-3-yl]-3-phenyl-1H-1,2,4-triazole |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C21 H24 N4 O3 S |
| Smiles: | COC[C@@H]1CN(C[C@H]1c1nc(c2ccccc2)n[nH]1)S(Cc1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8481 |
| logD: | 2.8438 |
| logSw: | -3.3088 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.014 |
| InChI Key: | UHCJBPITYGAVQB-RBUKOAKNSA-N |