methyl {[3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-1H-indazol-4-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-1H-indazol-4-yl]sulfanyl}acetate
methyl {[3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-1H-indazol-4-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 8012-7853 |
| Compound Name: | methyl {[3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-1H-indazol-4-yl]sulfanyl}acetate |
| Molecular Weight: | 415.42 |
| Molecular Formula: | C19 H17 N3 O6 S |
| Smiles: | COC(CSc1cc(cc2c1c(C1OCCO1)nn2c1ccccc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8883 |
| logD: | 2.8883 |
| logSw: | -3.5397 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.095 |
| InChI Key: | OLFPJRKLDRVGRL-UHFFFAOYSA-N |