methyl [1-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Chemical Structure Depiction of
methyl [1-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
methyl [1-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Compound characteristics
| Compound ID: | 8017-1607 |
| Compound Name: | methyl [1-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-imidazol-4-yl)ethyl]amino}ethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate |
| Molecular Weight: | 424.48 |
| Molecular Formula: | C20 H20 N6 O3 S |
| Smiles: | C/C(=C1\C(CC(=O)OC)=NN(C1=O)c1nc2ccccc2s1)NCCc1c[nH]cn1 |
| Stereo: | ACHIRAL |
| logP: | 1.891 |
| logD: | 1.7742 |
| logSw: | -2.4286 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.61 |
| InChI Key: | CHQYABRKEOPDKI-UHFFFAOYSA-N |