N'-{1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-3,4,5-triethoxybenzohydrazide
Chemical Structure Depiction of
N'-{1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-3,4,5-triethoxybenzohydrazide
N'-{1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-3,4,5-triethoxybenzohydrazide
Compound characteristics
| Compound ID: | Y502-2970 |
| Compound Name: | N'-{1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-3,4,5-triethoxybenzohydrazide |
| Molecular Weight: | 551.66 |
| Molecular Formula: | C28 H33 N5 O5 S |
| Smiles: | CCCC1\C(=C(/C)NNC(c2cc(c(c(c2)OCC)OCC)OCC)=O)C(N(c2nc3ccccc3s2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1061 |
| logD: | 4.1366 |
| logSw: | -4.9236 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.896 |
| InChI Key: | RCHXBSVHIDSVPW-UHFFFAOYSA-N |