3-cyclopropyl-5-[rel-(3R,4R)-1-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Chemical Structure Depiction of
3-cyclopropyl-5-[rel-(3R,4R)-1-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
3-cyclopropyl-5-[rel-(3R,4R)-1-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | SB32-0728 |
| Compound Name: | 3-cyclopropyl-5-[rel-(3R,4R)-1-(1,2-dimethyl-1H-imidazole-4-sulfonyl)-4-(methoxymethyl)pyrrolidin-3-yl]-1H-1,2,4-triazole |
| Molecular Weight: | 380.47 |
| Molecular Formula: | C16 H24 N6 O3 S |
| Smiles: | Cc1nc(cn1C)S(N1C[C@@H](COC)[C@@H](C1)c1nc(C2CC2)n[nH]1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7943 |
| logD: | 0.7928 |
| logSw: | -2.1204 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.992 |
| InChI Key: | LRRNKAPDOZTVHC-QWHCGFSZSA-N |