2-(1,3-benzothiazol-2-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4-(1-{[(pyridin-3-yl)methyl]amino}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-{[(pyridin-3-yl)methyl]amino}ethylidene)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4-(1-{[(pyridin-3-yl)methyl]amino}ethylidene)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3096-0167 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-5-{[(4-methylphenyl)sulfanyl]methyl}-4-(1-{[(pyridin-3-yl)methyl]amino}ethylidene)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 485.63 |
| Molecular Formula: | C26 H23 N5 O S2 |
| Smiles: | C/C(=C1\C(CSc2ccc(C)cc2)=NN(C1=O)c1nc2ccccc2s1)NCc1cccnc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0019 |
| logD: | 4.9875 |
| logSw: | -4.3635 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.642 |
| InChI Key: | TVGLJYAATYTITH-UHFFFAOYSA-N |