methyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoate
methyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoate
Compound characteristics
| Compound ID: | 5588-0084 |
| Compound Name: | methyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoate |
| Molecular Weight: | 335.36 |
| Molecular Formula: | C19 H17 N3 O3 |
| Smiles: | CC1\C(=C/Nc2ccccc2C(=O)OC)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9809 |
| logD: | 2.9033 |
| logSw: | -3.4875 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.664 |
| InChI Key: | HLQXYIORVIMPJT-UHFFFAOYSA-N |