4-cyano-N-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]benzamide
Chemical Structure Depiction of
4-cyano-N-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]benzamide
4-cyano-N-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]benzamide
Compound characteristics
| Compound ID: | M073-0797 |
| Compound Name: | 4-cyano-N-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]benzamide |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C18 H15 N3 O3 S2 |
| Smiles: | CC(C)S(c1nc2ccc(cc2s1)NC(c1ccc(C#N)cc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4042 |
| logD: | 3.3963 |
| logSw: | -3.916 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.654 |
| InChI Key: | HLHRYXXFNFPFND-UHFFFAOYSA-N |