2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Chemical Structure Depiction of
2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Compound characteristics
| Compound ID: | 1630-0715 |
| Compound Name: | 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid |
| Molecular Weight: | 239.29 |
| Molecular Formula: | C11 H13 N O3 S |
| Smiles: | CC(Nc1c(C(O)=O)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7945 |
| logD: | -1.1002 |
| logSw: | -2.1183 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.623 |
| InChI Key: | YQJPHNLITLRBAJ-UHFFFAOYSA-N |