3-(2-methylphenoxy)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
3-(2-methylphenoxy)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
3-(2-methylphenoxy)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
| Compound ID: | 1458-0030 |
| Compound Name: | 3-(2-methylphenoxy)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| Molecular Weight: | 318.31 |
| Molecular Formula: | C14 H10 N2 O5 S |
| Smiles: | Cc1ccccc1OC1c2ccc(cc2S(N=1)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.748 |
| logD: | 2.748 |
| logSw: | -3.3256 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.604 |
| InChI Key: | SRVMWUBIJONYLG-UHFFFAOYSA-N |