4-(4-chloro-2-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
Chemical Structure Depiction of
4-(4-chloro-2-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
4-(4-chloro-2-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
Compound characteristics
| Compound ID: | Y032-2219 |
| Compound Name: | 4-(4-chloro-2-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide |
| Molecular Weight: | 405.86 |
| Molecular Formula: | C18 H16 Cl N3 O4 S |
| Smiles: | Cc1cc(ccc1OCCCC(Nc1nc2ccc(cc2s1)[N+]([O-])=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.3934 |
| logD: | 5.3933 |
| logSw: | -5.7984 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.763 |
| InChI Key: | HEUXOHLXFVZFTC-UHFFFAOYSA-N |