methyl [1-(1,3-benzothiazol-2-yl)-5-oxo-4-(1-{[(pyridin-3-yl)methyl]amino}ethylidene)-4,5-dihydro-1H-pyrazol-3-yl]acetate
Chemical Structure Depiction of
methyl [1-(1,3-benzothiazol-2-yl)-5-oxo-4-(1-{[(pyridin-3-yl)methyl]amino}ethylidene)-4,5-dihydro-1H-pyrazol-3-yl]acetate
methyl [1-(1,3-benzothiazol-2-yl)-5-oxo-4-(1-{[(pyridin-3-yl)methyl]amino}ethylidene)-4,5-dihydro-1H-pyrazol-3-yl]acetate
Compound characteristics
| Compound ID: | 8017-1606 |
| Compound Name: | methyl [1-(1,3-benzothiazol-2-yl)-5-oxo-4-(1-{[(pyridin-3-yl)methyl]amino}ethylidene)-4,5-dihydro-1H-pyrazol-3-yl]acetate |
| Molecular Weight: | 421.48 |
| Molecular Formula: | C21 H19 N5 O3 S |
| Smiles: | C/C(=C1\C(CC(=O)OC)=NN(C1=O)c1nc2ccccc2s1)NCc1cccnc1 |
| Stereo: | ACHIRAL |
| logP: | 2.1881 |
| logD: | 2.1851 |
| logSw: | -2.0896 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.493 |
| InChI Key: | VGUFHDXANJLKLQ-UHFFFAOYSA-N |