3-methylbutyl 4-(2-chloro-4-nitrobenzamido)benzoate
Chemical Structure Depiction of
3-methylbutyl 4-(2-chloro-4-nitrobenzamido)benzoate
3-methylbutyl 4-(2-chloro-4-nitrobenzamido)benzoate
Compound characteristics
| Compound ID: | 2279-0614 |
| Compound Name: | 3-methylbutyl 4-(2-chloro-4-nitrobenzamido)benzoate |
| Molecular Weight: | 390.82 |
| Molecular Formula: | C19 H19 Cl N2 O5 |
| Smiles: | CC(C)CCOC(c1ccc(cc1)NC(c1ccc(cc1[Cl])[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.353 |
| logD: | 5.3125 |
| logSw: | -6.0021 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.759 |
| InChI Key: | OIOVPDDPKUSADZ-UHFFFAOYSA-N |