1-(adamantan-1-yl)-4-nitro-N-(4-sulfamoylphenyl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-4-nitro-N-(4-sulfamoylphenyl)-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-4-nitro-N-(4-sulfamoylphenyl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-6253 |
| Compound Name: | 1-(adamantan-1-yl)-4-nitro-N-(4-sulfamoylphenyl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 445.5 |
| Molecular Formula: | C20 H23 N5 O5 S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)n1cc(c(C(Nc2ccc(cc2)S(N)(=O)=O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7306 |
| logD: | 2.2736 |
| logSw: | -3.6175 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 121.609 |
| InChI Key: | MMUVNTZBWHIDEA-UHFFFAOYSA-N |