2-(3-chloroanilino)-2-oxoethyl 4-chloro-1-methyl-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
2-(3-chloroanilino)-2-oxoethyl 4-chloro-1-methyl-1H-pyrazole-3-carboxylate
2-(3-chloroanilino)-2-oxoethyl 4-chloro-1-methyl-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y501-3314 |
| Compound Name: | 2-(3-chloroanilino)-2-oxoethyl 4-chloro-1-methyl-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 328.15 |
| Molecular Formula: | C13 H11 Cl2 N3 O3 |
| Smiles: | Cn1cc(c(C(=O)OCC(Nc2cccc(c2)[Cl])=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.3972 |
| logD: | 2.3971 |
| logSw: | -3.2704 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.601 |
| InChI Key: | LWJQIYMTHUIETP-UHFFFAOYSA-N |