4-({6-tert-butyl-3-[(2-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}amino)-4-oxobutanoic acid
Chemical Structure Depiction of
4-({6-tert-butyl-3-[(2-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}amino)-4-oxobutanoic acid
4-({6-tert-butyl-3-[(2-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}amino)-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 4488-1990 |
| Compound Name: | 4-({6-tert-butyl-3-[(2-chlorophenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}amino)-4-oxobutanoic acid |
| Molecular Weight: | 462.99 |
| Molecular Formula: | C23 H27 Cl N2 O4 S |
| Smiles: | CC(C)(C)C1CCc2c(C(Nc3ccccc3[Cl])=O)c(NC(CCC(O)=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.59 |
| logD: | 1.6406 |
| logSw: | -4.3933 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.88 |
| InChI Key: | WTHUQVCZEQRGPM-CYBMUJFWSA-N |