methyl 2-({[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4,5-dimethoxybenzoate
Chemical Structure Depiction of
methyl 2-({[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4,5-dimethoxybenzoate
methyl 2-({[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4,5-dimethoxybenzoate
Compound characteristics
| Compound ID: | 5136-0139 |
| Compound Name: | methyl 2-({[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-4,5-dimethoxybenzoate |
| Molecular Weight: | 514.56 |
| Molecular Formula: | C27 H22 N4 O5 S |
| Smiles: | COC(c1cc(c(cc1N/C=C1\C(c2ccccc2)=NN(C1=O)c1nc2ccccc2s1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0602 |
| logD: | 5.0023 |
| logSw: | -4.7858 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.015 |
| InChI Key: | NQANERDPGLODQQ-UHFFFAOYSA-N |