2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{[(2-methoxyethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{[(2-methoxyethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{[(2-methoxyethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3770-0168 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{[(2-methoxyethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 458.99 |
| Molecular Formula: | C21 H19 Cl N4 O2 S2 |
| Smiles: | COCCN/C=C1\C(CSc2ccc(cc2)[Cl])=NN(C1=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1767 |
| logD: | 4.1747 |
| logSw: | -4.529 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.169 |
| InChI Key: | XTESAXMRKWNYTC-UHFFFAOYSA-N |