3-(3-methoxyanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
3-(3-methoxyanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
3-(3-methoxyanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
| Compound ID: | 8005-5835 |
| Compound Name: | 3-(3-methoxyanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| Molecular Weight: | 333.32 |
| Molecular Formula: | C14 H11 N3 O5 S |
| Smiles: | COc1cccc(c1)NC1c2ccc(cc2S(N=1)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5212 |
| logD: | 2.4625 |
| logSw: | -3.0502 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.77 |
| InChI Key: | DFCRBYSNWULNPV-UHFFFAOYSA-N |