N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(pyridine-3-sulfonyl)pyrrolidin-3-yl]benzamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(pyridine-3-sulfonyl)pyrrolidin-3-yl]benzamide
N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(pyridine-3-sulfonyl)pyrrolidin-3-yl]benzamide
Compound characteristics
| Compound ID: | SB33-1222 |
| Compound Name: | N-[rel-(3R,4S)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-(pyridine-3-sulfonyl)pyrrolidin-3-yl]benzamide |
| Molecular Weight: | 412.47 |
| Molecular Formula: | C19 H20 N6 O3 S |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2NC(c2ccccc2)=O)S(c2cccnc2)(=O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6238 |
| logD: | 0.6234 |
| logSw: | -2.1226 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.434 |
| InChI Key: | WPOAZVOZZQQNLO-IAGOWNOFSA-N |