2-{5-[(2-nitrophenoxy)methyl]furan-2-yl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{5-[(2-nitrophenoxy)methyl]furan-2-yl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{5-[(2-nitrophenoxy)methyl]furan-2-yl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y500-4219 |
| Compound Name: | 2-{5-[(2-nitrophenoxy)methyl]furan-2-yl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 447.47 |
| Molecular Formula: | C22 H17 N5 O4 S |
| Smiles: | C1CCc2c(C1)c1c3nc(c4ccc(COc5ccccc5[N+]([O-])=O)o4)nn3C=Nc1s2 |
| Stereo: | ACHIRAL |
| logP: | 4.597 |
| logD: | 4.5969 |
| logSw: | -4.73 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.812 |
| InChI Key: | KKXNFZJEEPYFQH-UHFFFAOYSA-N |