4-(cyclohexylsulfanyl)-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-1H-indazole
Chemical Structure Depiction of
4-(cyclohexylsulfanyl)-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-1H-indazole
4-(cyclohexylsulfanyl)-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-1H-indazole
Compound characteristics
| Compound ID: | 8012-6763 |
| Compound Name: | 4-(cyclohexylsulfanyl)-6-nitro-3-(1,3-oxathiolan-2-yl)-1-phenyl-1H-indazole |
| Molecular Weight: | 441.57 |
| Molecular Formula: | C22 H23 N3 O3 S2 |
| Smiles: | C1CCC(CC1)Sc1cc(cc2c1c(C1OCCS1)nn2c1ccccc1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.085 |
| logD: | 6.085 |
| logSw: | -6.1616 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.27 |
| InChI Key: | RKWQJSXEMCMBFA-QFIPXVFZSA-N |