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 |