4-bromo-N-[2-({2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide
Chemical Structure Depiction of
4-bromo-N-[2-({2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide
4-bromo-N-[2-({2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide
Compound characteristics
| Compound ID: | 8009-2608 |
| Compound Name: | 4-bromo-N-[2-({2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide |
| Molecular Weight: | 608.54 |
| Molecular Formula: | C27 H22 Br N5 O3 S2 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(CSc1nc2ccc(cc2s1)NC(c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5232 |
| logD: | 4.4897 |
| logSw: | -4.2946 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.67 |
| InChI Key: | IFKHWJAIHVNGPA-UHFFFAOYSA-N |