5-[rel-(3R,4R)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-[rel-(3R,4R)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
5-[rel-(3R,4R)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB32-1113 |
| Compound Name: | 5-[rel-(3R,4R)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 355.41 |
| Molecular Formula: | C14 H21 N5 O4 S |
| Smiles: | Cc1c(c(C)on1)S(N1C[C@@H](COC)[C@@H](C1)c1nc(C)n[nH]1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.0729 |
| logD: | 0.0724 |
| logSw: | -2.1342 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.042 |
| InChI Key: | MBXKZDWWYBVHIO-NWDGAFQWSA-N |