1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2-nitrophenoxy)ethan-1-one
Chemical Structure Depiction of
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2-nitrophenoxy)ethan-1-one
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2-nitrophenoxy)ethan-1-one
Compound characteristics
| Compound ID: | D345-0335 |
| Compound Name: | 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2-nitrophenoxy)ethan-1-one |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C20 H19 N3 O4 S |
| Smiles: | C1CN(CCC1c1nc2ccccc2s1)C(COc1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3965 |
| logD: | 3.3965 |
| logSw: | -3.6954 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.475 |
| InChI Key: | OBTZHMRURSRYEU-UHFFFAOYSA-N |