5-{[4-(4-tert-butylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]amino}-5-oxopentanoic acid
Chemical Structure Depiction of
5-{[4-(4-tert-butylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]amino}-5-oxopentanoic acid
5-{[4-(4-tert-butylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]amino}-5-oxopentanoic acid
Compound characteristics
| Compound ID: | 6049-2259 |
| Compound Name: | 5-{[4-(4-tert-butylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]amino}-5-oxopentanoic acid |
| Molecular Weight: | 431.55 |
| Molecular Formula: | C23 H29 N O5 S |
| Smiles: | CCOC(c1c(c2ccc(cc2)C(C)(C)C)c(C)sc1NC(CCCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6313 |
| logD: | 2.0341 |
| logSw: | -4.4386 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.048 |
| InChI Key: | XTFHJPDCKRSUQO-UHFFFAOYSA-N |