4-(2-ethylbutanamido)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
Chemical Structure Depiction of
4-(2-ethylbutanamido)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
4-(2-ethylbutanamido)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | Y032-4000 |
| Compound Name: | 4-(2-ethylbutanamido)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide |
| Molecular Weight: | 412.47 |
| Molecular Formula: | C20 H20 N4 O4 S |
| Smiles: | CCC(CC)C(Nc1ccc(cc1)C(Nc1nc2ccc(cc2s1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6025 |
| logD: | 4.5986 |
| logSw: | -4.4062 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.835 |
| InChI Key: | JRZJRIPWVRLHSM-UHFFFAOYSA-N |