1-[(2-chloro-5-methylphenoxy)methyl]-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-[(2-chloro-5-methylphenoxy)methyl]-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-1H-pyrazole-3-carboxamide
1-[(2-chloro-5-methylphenoxy)methyl]-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-2541 |
| Compound Name: | 1-[(2-chloro-5-methylphenoxy)methyl]-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 423.85 |
| Molecular Formula: | C22 H18 Cl N3 O4 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)NC(c1ccn(COc2cc(C)ccc2[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2286 |
| logD: | 4.2273 |
| logSw: | -4.5639 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.187 |
| InChI Key: | YYFIJLPNZXFSQO-UHFFFAOYSA-N |