2-[(1,3-benzothiazol-2-yl)sulfanyl]-N-(4-nitrophenyl)butanamide
Chemical Structure Depiction of
2-[(1,3-benzothiazol-2-yl)sulfanyl]-N-(4-nitrophenyl)butanamide
2-[(1,3-benzothiazol-2-yl)sulfanyl]-N-(4-nitrophenyl)butanamide
Compound characteristics
| Compound ID: | 8008-5628 |
| Compound Name: | 2-[(1,3-benzothiazol-2-yl)sulfanyl]-N-(4-nitrophenyl)butanamide |
| Molecular Weight: | 373.45 |
| Molecular Formula: | C17 H15 N3 O3 S2 |
| Smiles: | CCC(C(Nc1ccc(cc1)[N+]([O-])=O)=O)Sc1nc2ccccc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1304 |
| logD: | 5.1265 |
| logSw: | -4.9741 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.793 |
| InChI Key: | MRGLZZAMVHSBAB-AWEZNQCLSA-N |