N-[rel-(3R,4S)-1-(furan-2-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-1-(furan-2-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
N-[rel-(3R,4S)-1-(furan-2-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB33-0298 |
| Compound Name: | N-[rel-(3R,4S)-1-(furan-2-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 365.39 |
| Molecular Formula: | C19 H19 N5 O3 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2NC(c2ccccc2)=O)C(c2ccco2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9372 |
| logD: | 0.9367 |
| logSw: | -2.0596 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.432 |
| InChI Key: | UMPXFENYIKVVGS-GJZGRUSLSA-N |