4-[(2-methylpropyl)sulfanyl]-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-1H-indazole
Chemical Structure Depiction of
4-[(2-methylpropyl)sulfanyl]-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-1H-indazole
4-[(2-methylpropyl)sulfanyl]-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-1H-indazole
Compound characteristics
| Compound ID: | 8012-7851 |
| Compound Name: | 4-[(2-methylpropyl)sulfanyl]-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-1H-indazole |
| Molecular Weight: | 415.53 |
| Molecular Formula: | C20 H21 N3 O3 S2 |
| Smiles: | CC(C)CSc1cc(cc2c1c(C1OCCS1)nn2c1ccccc1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3188 |
| logD: | 5.3188 |
| logSw: | -5.5222 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.349 |
| InChI Key: | XZLUTCOCFALZAS-FQEVSTJZSA-N |