N-{4-[(adamantan-1-yl)sulfamoyl]phenyl}-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-{4-[(adamantan-1-yl)sulfamoyl]phenyl}-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
N-{4-[(adamantan-1-yl)sulfamoyl]phenyl}-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y501-1693 |
| Compound Name: | N-{4-[(adamantan-1-yl)sulfamoyl]phenyl}-1-methyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C21 H25 N5 O5 S |
| Smiles: | Cn1cc(c(C(Nc2ccc(cc2)S(NC23CC4CC(CC(C4)C3)C2)(=O)=O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8412 |
| logD: | 2.3841 |
| logSw: | -3.6978 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.433 |
| InChI Key: | QDWKAPWPARIOIK-UHFFFAOYSA-N |