1-[(2-chloro-4-nitrophenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-[(2-chloro-4-nitrophenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide
1-[(2-chloro-4-nitrophenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-3660 |
| Compound Name: | 1-[(2-chloro-4-nitrophenoxy)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 443.87 |
| Molecular Formula: | C19 H14 Cl N5 O4 S |
| Smiles: | Cc1ccc2c(c1)sc(NC(c1ccn(COc3ccc(cc3[Cl])[N+]([O-])=O)n1)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.7923 |
| logD: | 4.7921 |
| logSw: | -4.9681 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.923 |
| InChI Key: | GHZYSFSIMHPZEH-UHFFFAOYSA-N |