ethyl 5-[(phenylmethanesulfonyl)methyl]-1-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 5-[(phenylmethanesulfonyl)methyl]-1-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-1H-1,2,3-triazole-4-carboxylate
ethyl 5-[(phenylmethanesulfonyl)methyl]-1-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8017-7721 |
| Compound Name: | ethyl 5-[(phenylmethanesulfonyl)methyl]-1-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 442.45 |
| Molecular Formula: | C19 H18 N6 O5 S |
| Smiles: | CCOC(c1c(CS(Cc2ccccc2)(=O)=O)n(c2c(non2)n2cccc2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6063 |
| logD: | 2.6037 |
| logSw: | -2.6818 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 114.844 |
| InChI Key: | PJDCRDNYDKGVKB-UHFFFAOYSA-N |