2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
Chemical Structure Depiction of
2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
Compound characteristics
| Compound ID: | 2015-0061 |
| Compound Name: | 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide |
| Molecular Weight: | 387.48 |
| Molecular Formula: | C18 H17 N3 O3 S2 |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(CSc1nc2ccc(cc2s1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6053 |
| logD: | 4.6053 |
| logSw: | -4.4398 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.184 |
| InChI Key: | NEHMXDKYDQZVJK-UHFFFAOYSA-N |