4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]phenyl hexadecanoate
Chemical Structure Depiction of
4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]phenyl hexadecanoate
4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]phenyl hexadecanoate
Compound characteristics
| Compound ID: | 0136-0202 |
| Compound Name: | 4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]phenyl hexadecanoate |
| Molecular Weight: | 565.54 |
| Molecular Formula: | C29 H38 Cl2 N2 O5 |
| Smiles: | CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1C(Nc1ccc(cc1[Cl])[N+]([O-])=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 10.7653 |
| logD: | 8.1141 |
| logSw: | -6.5582 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.154 |
| InChI Key: | VEDGELWFUINXLE-UHFFFAOYSA-N |