4-chloro-1-methyl-N-[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
4-chloro-1-methyl-N-[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
4-chloro-1-methyl-N-[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-2728 |
| Compound Name: | 4-chloro-1-methyl-N-[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 439.7 |
| Molecular Formula: | C16 H8 Cl F6 N3 O3 |
| Smiles: | Cn1c(c(c(C(Nc2ccc3C(=CC(=O)Oc3c2)C(F)(F)F)=O)n1)[Cl])C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.2316 |
| logD: | 3.2243 |
| logSw: | -4.2516 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.799 |
| InChI Key: | CUTZLAHUDBRHLA-UHFFFAOYSA-N |