3-(4-chloro-2-methylanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
3-(4-chloro-2-methylanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
3-(4-chloro-2-methylanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
| Compound ID: | 8001-7476 |
| Compound Name: | 3-(4-chloro-2-methylanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| Molecular Weight: | 351.77 |
| Molecular Formula: | C14 H10 Cl N3 O4 S |
| Smiles: | Cc1cc(ccc1NC1c2ccc(cc2S(N=1)(=O)=O)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.5739 |
| logD: | 3.1508 |
| logSw: | -4.0351 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.528 |
| InChI Key: | MZVSCVIYOJWGII-UHFFFAOYSA-N |