N-(6-nitro-1,3-benzothiazol-2-yl)-4-phenoxybutanamide
Chemical Structure Depiction of
N-(6-nitro-1,3-benzothiazol-2-yl)-4-phenoxybutanamide
N-(6-nitro-1,3-benzothiazol-2-yl)-4-phenoxybutanamide
Compound characteristics
| Compound ID: | Y032-2277 |
| Compound Name: | N-(6-nitro-1,3-benzothiazol-2-yl)-4-phenoxybutanamide |
| Molecular Weight: | 357.39 |
| Molecular Formula: | C17 H15 N3 O4 S |
| Smiles: | C(CC(Nc1nc2ccc(cc2s1)[N+]([O-])=O)=O)COc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.926 |
| logD: | 3.9259 |
| logSw: | -4.0489 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.677 |
| InChI Key: | KOSHUGIIXMMQSN-UHFFFAOYSA-N |