N~1~,N~3~-bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-nitrobenzene-1,3-dicarboxamide
Chemical Structure Depiction of
N~1~,N~3~-bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-nitrobenzene-1,3-dicarboxamide
N~1~,N~3~-bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-nitrobenzene-1,3-dicarboxamide
Compound characteristics
| Compound ID: | 0627-0632 |
| Compound Name: | N~1~,N~3~-bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-nitrobenzene-1,3-dicarboxamide |
| Molecular Weight: | 581.59 |
| Molecular Formula: | C30 H27 N7 O6 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(c1cc(cc(c1)[N+]([O-])=O)C(NC1=C(C)N(C)N(C1=O)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3799 |
| logD: | -1.1982 |
| logSw: | -1.9922 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 120.565 |
| InChI Key: | KBWWCGKAUYLYEY-UHFFFAOYSA-N |