4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzene-1,3-dicarboxylic acid
Chemical Structure Depiction of
4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzene-1,3-dicarboxylic acid
4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzene-1,3-dicarboxylic acid
Compound characteristics
| Compound ID: | 4440-0593 |
| Compound Name: | 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]benzene-1,3-dicarboxylic acid |
| Molecular Weight: | 370.38 |
| Molecular Formula: | C18 H14 N2 O5 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(c1ccc(cc1C(O)=O)C(O)=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.3975 |
| logD: | -1.5232 |
| logSw: | -4.0488 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.917 |
| InChI Key: | BJSDGAVWFDACRZ-UHFFFAOYSA-N |