4-[(3-{[(4-methylphenyl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[(3-{[(4-methylphenyl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid
4-[(3-{[(4-methylphenyl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | Y200-3911 |
| Compound Name: | 4-[(3-{[(4-methylphenyl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C21 H24 N2 O4 S |
| Smiles: | Cc1ccc(CNC(c2c3CCCCc3sc2NC(CCC(O)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7462 |
| logD: | -0.2032 |
| logSw: | -3.2665 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.9 |
| InChI Key: | HKZSZXYNSCHOAP-UHFFFAOYSA-N |