2-[(6-{[(5-bromo-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-{[(5-bromo-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-{[(5-bromo-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: | 8007-7861 |
| Compound Name: | 2-[(6-{[(5-bromo-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: | 608.54 |
| Molecular Formula: | C27 H22 Br N5 O3 S2 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(CSc1nc2ccc(cc2s1)/N=C/c1cc(ccc1O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5872 |
| logD: | 4.5244 |
| logSw: | -4.1486 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.255 |
| InChI Key: | DPRFHBOVOJABIW-UHFFFAOYSA-N |