ethyl (4-{[2-(4-chlorophenyl)ethyl]carbamoyl}-2-nitrobenzene-1-sulfonyl)acetate
Chemical Structure Depiction of
ethyl (4-{[2-(4-chlorophenyl)ethyl]carbamoyl}-2-nitrobenzene-1-sulfonyl)acetate
ethyl (4-{[2-(4-chlorophenyl)ethyl]carbamoyl}-2-nitrobenzene-1-sulfonyl)acetate
Compound characteristics
| Compound ID: | K781-9607 |
| Compound Name: | ethyl (4-{[2-(4-chlorophenyl)ethyl]carbamoyl}-2-nitrobenzene-1-sulfonyl)acetate |
| Molecular Weight: | 454.88 |
| Molecular Formula: | C19 H19 Cl N2 O7 S |
| Smiles: | CCOC(CS(c1ccc(cc1[N+]([O-])=O)C(NCCc1ccc(cc1)[Cl])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9439 |
| logD: | 2.9438 |
| logSw: | -3.8067 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.769 |
| InChI Key: | VIVFNSNVXVXFBY-UHFFFAOYSA-N |