2-(diethylamino)ethyl 4-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoate
Chemical Structure Depiction of
2-(diethylamino)ethyl 4-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoate
2-(diethylamino)ethyl 4-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoate
Compound characteristics
| Compound ID: | 3896-0106 |
| Compound Name: | 2-(diethylamino)ethyl 4-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoate |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C24 H28 N4 O3 |
| Smiles: | CCN(CC)CCOC(c1ccc(cc1)N/C=C1/C(C)=NN(C1=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0704 |
| logD: | 3.102 |
| logSw: | -3.9841 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.647 |
| InChI Key: | JLQVACKTEKKRME-UHFFFAOYSA-N |