methyl [4-(1-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}ethylidene)-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]acetate
Chemical Structure Depiction of
methyl [4-(1-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}ethylidene)-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]acetate
methyl [4-(1-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}ethylidene)-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]acetate
Compound characteristics
| Compound ID: | 8017-1605 |
| Compound Name: | methyl [4-(1-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}ethylidene)-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]acetate |
| Molecular Weight: | 407.42 |
| Molecular Formula: | C22 H21 N3 O5 |
| Smiles: | C/C(=C1\C(CC(=O)OC)=NN(C1=O)c1ccccc1)NCc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.349 |
| logD: | 2.3468 |
| logSw: | -2.8794 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.555 |
| InChI Key: | HDBDAVKNTHEOEJ-UHFFFAOYSA-N |