3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl adamantane-1-carboxylate
Chemical Structure Depiction of
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl adamantane-1-carboxylate
3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl adamantane-1-carboxylate
Compound characteristics
| Compound ID: | C263-0393 |
| Compound Name: | 3-methyl-4-(4-nitrobenzene-1-sulfonyl)-1-phenyl-1H-pyrazol-5-yl adamantane-1-carboxylate |
| Molecular Weight: | 521.59 |
| Molecular Formula: | C27 H27 N3 O6 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(C12CC3CC(CC(C3)C2)C1)=O)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6557 |
| logD: | 5.6557 |
| logSw: | -5.5954 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.466 |
| InChI Key: | ABAYWAXAERSDTL-UHFFFAOYSA-N |