3-cyclopropyl-5-[rel-(3R,4R)-4-(methoxymethyl)-1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Chemical Structure Depiction of
3-cyclopropyl-5-[rel-(3R,4R)-4-(methoxymethyl)-1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
3-cyclopropyl-5-[rel-(3R,4R)-4-(methoxymethyl)-1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB32-0786 |
| Compound Name: | 3-cyclopropyl-5-[rel-(3R,4R)-4-(methoxymethyl)-1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)pyrrolidin-3-yl]-1H-1,2,4-triazole |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C21 H28 N4 O3 S |
| Smiles: | COC[C@@H]1CN(C[C@H]1c1nc(C2CC2)n[nH]1)S(c1ccc2CCCCc2c1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6761 |
| logD: | 3.6746 |
| logSw: | -3.8718 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.563 |
| InChI Key: | HYBSSCBCYPBZBH-PKOBYXMFSA-N |