1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(thiophen-2-yl)ethan-1-one
1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | SB32-0743 |
| Compound Name: | 1-[rel-(3R,4R)-3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C17 H22 N4 O2 S |
| Smiles: | COC[C@@H]1CN(C[C@H]1c1nc(C2CC2)n[nH]1)C(Cc1cccs1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.97 |
| logD: | 1.9642 |
| logSw: | -2.5845 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.071 |
| InChI Key: | YNWMRQBYSMXBEV-GXTWGEPZSA-N |