2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[1-(morpholin-4-yl)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[1-(morpholin-4-yl)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[1-(morpholin-4-yl)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3045-0307 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[1-(morpholin-4-yl)ethylidene]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 485.03 |
| Molecular Formula: | C23 H21 Cl N4 O2 S2 |
| Smiles: | C/C(=C1\C(CSc2ccc(cc2)[Cl])=NN(C1=O)c1nc2ccccc2s1)N1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.0706 |
| logD: | 5.0632 |
| logSw: | -5.2355 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.771 |
| InChI Key: | WYTQZTPTKWRJJU-UHFFFAOYSA-N |