2-(1,3-benzothiazol-2-yl)-4-({[(furan-2-yl)methyl]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-({[(furan-2-yl)methyl]amino}methylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-({[(furan-2-yl)methyl]amino}methylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3096-0184 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-({[(furan-2-yl)methyl]amino}methylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 460.58 |
| Molecular Formula: | C24 H20 N4 O2 S2 |
| Smiles: | Cc1ccc(cc1)SCC1\C(=C/NCc2ccco2)C(N(c2nc3ccccc3s2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1652 |
| logD: | 5.1641 |
| logSw: | -4.9874 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.462 |
| InChI Key: | BBJAJWCPAGTPRX-UHFFFAOYSA-N |