3-cyclopropyl-5-[rel-(3R,4R)-1-(2-ethylbenzene-1-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Chemical Structure Depiction of
3-cyclopropyl-5-[rel-(3R,4R)-1-(2-ethylbenzene-1-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
3-cyclopropyl-5-[rel-(3R,4R)-1-(2-ethylbenzene-1-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB32-0753 |
| Compound Name: | 3-cyclopropyl-5-[rel-(3R,4R)-1-(2-ethylbenzene-1-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole |
| Molecular Weight: | 390.5 |
| Molecular Formula: | C19 H26 N4 O3 S |
| Smiles: | CCc1ccccc1S(N1C[C@@H](COC)[C@@H](C1)c1nc(C2CC2)n[nH]1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9807 |
| logD: | 2.9792 |
| logSw: | -3.2598 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.643 |
| InChI Key: | XSINXLKJLKLDOK-JKSUJKDBSA-N |