4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-4-oxobutanoic acid
4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | Y042-3151 |
| Compound Name: | 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-4-oxobutanoic acid |
| Molecular Weight: | 319.38 |
| Molecular Formula: | C15 H17 N3 O3 S |
| Smiles: | C(CC(N1CCN(CC1)c1c2ccccc2sn1)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7 |
| logD: | -1.2494 |
| logSw: | -2.0961 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.428 |
| InChI Key: | AOJCGOHMSZMZQG-UHFFFAOYSA-N |