3-(2,5-dimethylphenoxy)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
3-(2,5-dimethylphenoxy)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
3-(2,5-dimethylphenoxy)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
| Compound ID: | 8002-1808 |
| Compound Name: | 3-(2,5-dimethylphenoxy)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| Molecular Weight: | 332.33 |
| Molecular Formula: | C15 H12 N2 O5 S |
| Smiles: | Cc1ccc(C)c(c1)OC1c2ccc(cc2S(N=1)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3971 |
| logD: | 3.3971 |
| logSw: | -3.9402 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.604 |
| InChI Key: | NOKFUTFURWKNPJ-UHFFFAOYSA-N |