1-[(1,3-benzothiazol-2-yl)methyl]cyclopentane-1-carboxylic acid
Chemical Structure Depiction of
1-[(1,3-benzothiazol-2-yl)methyl]cyclopentane-1-carboxylic acid
1-[(1,3-benzothiazol-2-yl)methyl]cyclopentane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y042-3113 |
| Compound Name: | 1-[(1,3-benzothiazol-2-yl)methyl]cyclopentane-1-carboxylic acid |
| Molecular Weight: | 261.34 |
| Molecular Formula: | C14 H15 N O2 S |
| Smiles: | C1CCC(C1)(Cc1nc2ccccc2s1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1878 |
| logD: | 0.8964 |
| logSw: | -3.2229 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.149 |
| InChI Key: | MXXBBESUIKQPCY-UHFFFAOYSA-N |