2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methylidene]-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methylidene]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y508-5739 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(dimethylamino)methylidene]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 428.96 |
| Molecular Formula: | C20 H17 Cl N4 O S2 |
| Smiles: | CN(C)/C=C1\C(CSc2ccc(cc2)[Cl])=NN(C1=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.4677 |
| logD: | 4.4644 |
| logSw: | -4.6749 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.35 |
| InChI Key: | GZKPFVAJNXJKKA-UHFFFAOYSA-N |