5-({3-[(2-methylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}amino)-5-oxopentanoic acid
Chemical Structure Depiction of
5-({3-[(2-methylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}amino)-5-oxopentanoic acid
5-({3-[(2-methylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}amino)-5-oxopentanoic acid
Compound characteristics
| Compound ID: | Y200-6014 |
| Compound Name: | 5-({3-[(2-methylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}amino)-5-oxopentanoic acid |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C21 H24 N2 O4 S |
| Smiles: | Cc1ccccc1NC(c1c2CCCCc2sc1NC(CCCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8173 |
| logD: | 0.2201 |
| logSw: | -3.3702 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.88 |
| InChI Key: | IIBRUUCZMUKRLP-UHFFFAOYSA-N |