5-[rel-(3R,4R)-1-(5-chlorothiophene-2-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Chemical Structure Depiction of
5-[rel-(3R,4R)-1-(5-chlorothiophene-2-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
5-[rel-(3R,4R)-1-(5-chlorothiophene-2-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB32-0158 |
| Compound Name: | 5-[rel-(3R,4R)-1-(5-chlorothiophene-2-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-3-methyl-1H-1,2,4-triazole |
| Molecular Weight: | 376.88 |
| Molecular Formula: | C13 H17 Cl N4 O3 S2 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2COC)S(c2ccc(s2)[Cl])(=O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7456 |
| logD: | 1.7452 |
| logSw: | -2.7332 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.022 |
| InChI Key: | NCKZWGDKPJDNJT-VHSXEESVSA-N |