2-(1,3-benzothiazol-2-yl)-4-(1-{[(furan-2-yl)methyl]amino}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-{[(furan-2-yl)methyl]amino}ethylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-(1-{[(furan-2-yl)methyl]amino}ethylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y010-1905 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-(1-{[(furan-2-yl)methyl]amino}ethylidene)-5-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 474.6 |
| Molecular Formula: | C25 H22 N4 O2 S2 |
| Smiles: | C/C(=C1\C(CSc2ccc(C)cc2)=NN(C1=O)c1nc2ccccc2s1)NCc1ccco1 |
| Stereo: | ACHIRAL |
| logP: | 5.9803 |
| logD: | 5.9651 |
| logSw: | -5.5275 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.873 |
| InChI Key: | VCWBCXAIIAOFLD-UHFFFAOYSA-N |