2-(1,3-benzothiazol-2-yl)-4-[1-(4-methylanilino)ethylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-[1-(4-methylanilino)ethylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-[1-(4-methylanilino)ethylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y010-1833 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-[1-(4-methylanilino)ethylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 484.64 |
| Molecular Formula: | C27 H24 N4 O S2 |
| Smiles: | C/C(=C1/C(CSc2ccc(C)cc2)=NN(C1=O)c1nc2ccccc2s1)Nc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.1532 |
| logD: | 7.132 |
| logSw: | -5.7023 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.802 |
| InChI Key: | TWYVGPGRGLSGCL-UHFFFAOYSA-N |