5-methyl-2-(4-nitrophenyl)-4-[1-({3-[(propan-2-yl)oxy]propyl}amino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-methyl-2-(4-nitrophenyl)-4-[1-({3-[(propan-2-yl)oxy]propyl}amino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
5-methyl-2-(4-nitrophenyl)-4-[1-({3-[(propan-2-yl)oxy]propyl}amino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y600-2004 |
| Compound Name: | 5-methyl-2-(4-nitrophenyl)-4-[1-({3-[(propan-2-yl)oxy]propyl}amino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 360.41 |
| Molecular Formula: | C18 H24 N4 O4 |
| Smiles: | CC(C)OCCCNC(\C)=C1/C(C)=NN(C1=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4072 |
| logD: | 2.4063 |
| logSw: | -2.7905 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.826 |
| InChI Key: | ITWASCOYZIEOLP-UHFFFAOYSA-N |