2-(1,3-benzothiazol-2-yl)-4-{[(3-methylbutyl)amino]methylidene}-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-{[(3-methylbutyl)amino]methylidene}-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-{[(3-methylbutyl)amino]methylidene}-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 5236-0135 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-{[(3-methylbutyl)amino]methylidene}-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 450.62 |
| Molecular Formula: | C24 H26 N4 O S2 |
| Smiles: | CC(C)CCN/C=C1\C(CSc2ccc(C)cc2)=NN(C1=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.9017 |
| logD: | 5.8856 |
| logSw: | -5.4873 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.826 |
| InChI Key: | ZIJNNFZUPVDZCV-UHFFFAOYSA-N |