methyl 3-{[6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-1H-indazol-4-yl]sulfanyl}propanoate
Chemical Structure Depiction of
methyl 3-{[6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-1H-indazol-4-yl]sulfanyl}propanoate
methyl 3-{[6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-1H-indazol-4-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | 8012-6764 |
| Compound Name: | methyl 3-{[6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-1H-indazol-4-yl]sulfanyl}propanoate |
| Molecular Weight: | 445.51 |
| Molecular Formula: | C20 H19 N3 O5 S2 |
| Smiles: | COC(CCSc1cc(cc2c1c(C1OCCS1)nn2c1ccccc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0004 |
| logD: | 4.0004 |
| logSw: | -4.385 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.928 |
| InChI Key: | KOIQELYDMNKNLV-FQEVSTJZSA-N |