methyl 3-{[3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-1H-indazol-4-yl]sulfanyl}propanoate
Chemical Structure Depiction of
methyl 3-{[3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-1H-indazol-4-yl]sulfanyl}propanoate
methyl 3-{[3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-1H-indazol-4-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | 8012-6750 |
| Compound Name: | methyl 3-{[3-(1,3-dioxolan-2-yl)-6-nitro-1-phenyl-1H-indazol-4-yl]sulfanyl}propanoate |
| Molecular Weight: | 429.45 |
| Molecular Formula: | C20 H19 N3 O6 S |
| Smiles: | COC(CCSc1cc(cc2c1c(C1OCCO1)nn2c1ccccc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3931 |
| logD: | 3.3931 |
| logSw: | -4.0244 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.095 |
| InChI Key: | KEKCYFBSEIATHY-UHFFFAOYSA-N |