2-[4-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)piperazin-1-yl]ethyl benzoate
Chemical Structure Depiction of
2-[4-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)piperazin-1-yl]ethyl benzoate
2-[4-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)piperazin-1-yl]ethyl benzoate
Compound characteristics
| Compound ID: | 8012-2457 |
| Compound Name: | 2-[4-(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)piperazin-1-yl]ethyl benzoate |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C20 H21 N3 O4 S |
| Smiles: | C1CN(CCN1CCOC(c1ccccc1)=O)C1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.441 |
| logD: | 2.4391 |
| logSw: | -2.8204 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.697 |
| InChI Key: | KSFCJBXQZYBTID-UHFFFAOYSA-N |