4-{3-[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]azetidine-1-sulfonyl}benzonitrile
Chemical Structure Depiction of
4-{3-[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]azetidine-1-sulfonyl}benzonitrile
4-{3-[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]azetidine-1-sulfonyl}benzonitrile
Compound characteristics
| Compound ID: | S724-0624 |
| Compound Name: | 4-{3-[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]azetidine-1-sulfonyl}benzonitrile |
| Molecular Weight: | 386.43 |
| Molecular Formula: | C17 H18 N6 O3 S |
| Smiles: | C1CCN(C1)C(c1cn(C2CN(C2)S(c2ccc(C#N)cc2)(=O)=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6523 |
| logD: | 0.6523 |
| logSw: | -2.166 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 92.224 |
| InChI Key: | RWAPTUIBRTUCCQ-UHFFFAOYSA-N |