ethyl 5-(chloromethyl)-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-(chloromethyl)-1-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-1H-1,2,3-triazole-4-carboxylate
ethyl 5-(chloromethyl)-1-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8013-3408 |
| Compound Name: | ethyl 5-(chloromethyl)-1-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 322.71 |
| Molecular Formula: | C12 H11 Cl N6 O3 |
| Smiles: | CCOC(c1c(C[Cl])n(c2c(non2)n2cccc2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5762 |
| logD: | 2.5762 |
| logSw: | -2.3946 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 86.815 |
| InChI Key: | WDPUQPVIFCAYLD-UHFFFAOYSA-N |