1-[(2,3-dichlorophenoxy)methyl]-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-[(2,3-dichlorophenoxy)methyl]-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-1H-pyrazole-3-carboxamide
1-[(2,3-dichlorophenoxy)methyl]-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y508-4766 |
| Compound Name: | 1-[(2,3-dichlorophenoxy)methyl]-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 444.27 |
| Molecular Formula: | C21 H15 Cl2 N3 O4 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)NC(c1ccn(COc2cccc(c2[Cl])[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4006 |
| logD: | 4.3993 |
| logSw: | -4.6288 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.187 |
| InChI Key: | OJXIXXXNGVFNMG-UHFFFAOYSA-N |