rel-(3R,4R)-1-(5-bromofuran-2-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-(5-bromofuran-2-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
rel-(3R,4R)-1-(5-bromofuran-2-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S641-0031 |
| Compound Name: | rel-(3R,4R)-1-(5-bromofuran-2-carbonyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 368.19 |
| Molecular Formula: | C13 H14 Br N5 O3 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2C(N)=O)C(c2ccc(o2)[Br])=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.0999 |
| logD: | 0.0995 |
| logSw: | -1.9353 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.502 |
| InChI Key: | RRYMQZOKMACTLF-HTQZYQBOSA-N |