3-(4-tert-butylphenyl)-3-(4-chloro-3-nitrobenzamido)propanoic acid
Chemical Structure Depiction of
3-(4-tert-butylphenyl)-3-(4-chloro-3-nitrobenzamido)propanoic acid
3-(4-tert-butylphenyl)-3-(4-chloro-3-nitrobenzamido)propanoic acid
Compound characteristics
| Compound ID: | 8014-9631 |
| Compound Name: | 3-(4-tert-butylphenyl)-3-(4-chloro-3-nitrobenzamido)propanoic acid |
| Molecular Weight: | 404.85 |
| Molecular Formula: | C20 H21 Cl N2 O5 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(CC(O)=O)NC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.31 |
| logD: | 1.6723 |
| logSw: | -4.4864 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.747 |
| InChI Key: | QUYRNZIEBHZIML-INIZCTEOSA-N |