methyl [1-(1,3-benzothiazol-2-yl)-4-(1-ethoxyethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Chemical Structure Depiction of
methyl [1-(1,3-benzothiazol-2-yl)-4-(1-ethoxyethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
methyl [1-(1,3-benzothiazol-2-yl)-4-(1-ethoxyethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Compound characteristics
| Compound ID: | 8017-1431 |
| Compound Name: | methyl [1-(1,3-benzothiazol-2-yl)-4-(1-ethoxyethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate |
| Molecular Weight: | 359.4 |
| Molecular Formula: | C17 H17 N3 O4 S |
| Smiles: | CCOC(\C)=C1\C(CC(=O)OC)=NN(C1=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 2.9259 |
| logD: | 2.9257 |
| logSw: | -3.0804 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.475 |
| InChI Key: | IJYMQNNYJOMRBU-UHFFFAOYSA-N |