(2H-1,3-benzodioxol-5-yl){3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl){3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}methanone
(2H-1,3-benzodioxol-5-yl){3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}methanone
Compound characteristics
| Compound ID: | S460-0257 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl){3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}methanone |
| Molecular Weight: | 430.42 |
| Molecular Formula: | C22 H18 N6 O4 |
| Smiles: | C1CN(CC1n1cc(c2nc(c3ccccc3)no2)nn1)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8113 |
| logD: | 2.8113 |
| logSw: | -3.2166 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 91.714 |
| InChI Key: | XCSLPTKUVODHFG-MRXNPFEDSA-N |