5-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-5-oxopentanoic acid
Chemical Structure Depiction of
5-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-5-oxopentanoic acid
5-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-5-oxopentanoic acid
Compound characteristics
| Compound ID: | Y042-3150 |
| Compound Name: | 5-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-5-oxopentanoic acid |
| Molecular Weight: | 333.41 |
| Molecular Formula: | C16 H19 N3 O3 S |
| Smiles: | C(CC(O)=O)CC(N1CCN(CC1)c1c2ccccc2sn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8532 |
| logD: | -0.744 |
| logSw: | -2.2082 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.428 |
| InChI Key: | BRBYRTTWXFWDIB-UHFFFAOYSA-N |