N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylpropanamide
Chemical Structure Depiction of
N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylpropanamide
N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | Y032-1169 |
| Compound Name: | N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylpropanamide |
| Molecular Weight: | 327.36 |
| Molecular Formula: | C16 H13 N3 O3 S |
| Smiles: | C(Cc1ccccc1)C(Nc1nc2ccc(cc2s1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0594 |
| logD: | 4.0591 |
| logSw: | -4.3489 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.259 |
| InChI Key: | XNSDLFRYERGFET-UHFFFAOYSA-N |