methyl [1-(1,3-benzothiazol-2-yl)-4-{[4-(dimethylamino)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Chemical Structure Depiction of
methyl [1-(1,3-benzothiazol-2-yl)-4-{[4-(dimethylamino)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
methyl [1-(1,3-benzothiazol-2-yl)-4-{[4-(dimethylamino)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Compound characteristics
Compound ID: | Y600-1710 |
Compound Name: | methyl [1-(1,3-benzothiazol-2-yl)-4-{[4-(dimethylamino)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate |
Molecular Weight: | 420.49 |
Molecular Formula: | C22 H20 N4 O3 S |
Smiles: | CN(C)c1ccc(\C=C2/C(CC(=O)OC)=NN(C2=O)c2nc3ccccc3s2)cc1 |
Stereo: | ACHIRAL |
logP: | 4.0089 |
logD: | 4.0088 |
logSw: | -4.3584 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 59.236 |
InChI Key: | CDHIOASFIWLNKB-UHFFFAOYSA-N |