4-({6-tert-butyl-3-[(4-methylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}amino)-4-oxobutanoic acid
Chemical Structure Depiction of
4-({6-tert-butyl-3-[(4-methylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}amino)-4-oxobutanoic acid
4-({6-tert-butyl-3-[(4-methylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}amino)-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 4488-1960 |
| Compound Name: | 4-({6-tert-butyl-3-[(4-methylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}amino)-4-oxobutanoic acid |
| Molecular Weight: | 442.58 |
| Molecular Formula: | C24 H30 N2 O4 S |
| Smiles: | Cc1ccc(cc1)NC(c1c2CCC(Cc2sc1NC(CCC(O)=O)=O)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7644 |
| logD: | 1.815 |
| logSw: | -4.5919 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.578 |
| InChI Key: | YMSMHRMJYSMFAV-OAHLLOKOSA-N |