5-bromo-N-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]pyridine-3-carboxamide
Chemical Structure Depiction of
5-bromo-N-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]pyridine-3-carboxamide
5-bromo-N-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | 4194-0027 |
| Compound Name: | 5-bromo-N-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]pyridine-3-carboxamide |
| Molecular Weight: | 446.32 |
| Molecular Formula: | C18 H16 Br N5 O2 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(NC(c1cc(cnc1)[Br])=O)=S |
| Stereo: | ACHIRAL |
| logP: | 1.9597 |
| logD: | 1.6508 |
| logSw: | -2.4762 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.229 |
| InChI Key: | TYZKKKJLRKFLAD-UHFFFAOYSA-N |