2-(1,3-benzothiazol-2-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4-[1-(pentylamino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4-[1-(pentylamino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4-[1-(pentylamino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3533-0069 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4-[1-(pentylamino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 464.65 |
| Molecular Formula: | C25 H28 N4 O S2 |
| Smiles: | CCCCCNC(\C)=C1\C(CSc2ccc(C)cc2)=NN(C1=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 6.7021 |
| logD: | 6.6893 |
| logSw: | -5.5825 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.237 |
| InChI Key: | YLRXTGRXAFIAAH-UHFFFAOYSA-N |