4-[(6-ethyl-3-{[(4-methylphenyl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[(6-ethyl-3-{[(4-methylphenyl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid
4-[(6-ethyl-3-{[(4-methylphenyl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | Y200-5929 |
| Compound Name: | 4-[(6-ethyl-3-{[(4-methylphenyl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid |
| Molecular Weight: | 428.55 |
| Molecular Formula: | C23 H28 N2 O4 S |
| Smiles: | CCC1CCc2c(C(NCc3ccc(C)cc3)=O)c(NC(CCC(O)=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7256 |
| logD: | 0.7762 |
| logSw: | -4.2988 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.9 |
| InChI Key: | RMIWMABRVJLBIW-OAHLLOKOSA-N |