2-(3-nitrophenyl)-2-oxoethyl 4-(3-chloro-4-methylanilino)-4-oxobutanoate
Chemical Structure Depiction of
2-(3-nitrophenyl)-2-oxoethyl 4-(3-chloro-4-methylanilino)-4-oxobutanoate
2-(3-nitrophenyl)-2-oxoethyl 4-(3-chloro-4-methylanilino)-4-oxobutanoate
Compound characteristics
| Compound ID: | 4483-1270 |
| Compound Name: | 2-(3-nitrophenyl)-2-oxoethyl 4-(3-chloro-4-methylanilino)-4-oxobutanoate |
| Molecular Weight: | 404.81 |
| Molecular Formula: | C19 H17 Cl N2 O6 |
| Smiles: | Cc1ccc(cc1[Cl])NC(CCC(=O)OCC(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0618 |
| logD: | 4.0614 |
| logSw: | -4.3553 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.279 |
| InChI Key: | DZKLAQAKMQOPPI-UHFFFAOYSA-N |