4-({3-[(4-chlorophenyl)carbamoyl]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}amino)-4-oxobutanoic acid
Chemical Structure Depiction of
4-({3-[(4-chlorophenyl)carbamoyl]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}amino)-4-oxobutanoic acid
4-({3-[(4-chlorophenyl)carbamoyl]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}amino)-4-oxobutanoic acid
Compound characteristics
Compound ID: | Y200-5927 |
Compound Name: | 4-({3-[(4-chlorophenyl)carbamoyl]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}amino)-4-oxobutanoic acid |
Molecular Weight: | 434.94 |
Molecular Formula: | C21 H23 Cl N2 O4 S |
Smiles: | CCC1CCc2c(C(Nc3ccc(cc3)[Cl])=O)c(NC(CCC(O)=O)=O)sc2C1 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.3579 |
logD: | 1.4085 |
logSw: | -4.6077 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 74.578 |
InChI Key: | KQIQANBAHRHXRF-GFCCVEGCSA-N |