2-[(6-{[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
Chemical Structure Depiction of
2-[(6-{[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
2-[(6-{[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
Compound characteristics
| Compound ID: | 8008-1839 |
| Compound Name: | 2-[(6-{[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide |
| Molecular Weight: | 687.43 |
| Molecular Formula: | C27 H21 Br2 N5 O3 S2 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(CSc1nc2ccc(cc2s1)/N=C/c1cc(cc(c1O)[Br])[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3466 |
| logD: | 4.7801 |
| logSw: | -5.1151 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.186 |
| InChI Key: | HDMDOHVMZRLQGK-UHFFFAOYSA-N |