3-(3-chloro-2-methylanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
3-(3-chloro-2-methylanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
3-(3-chloro-2-methylanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
| Compound ID: | 8006-6963 |
| Compound Name: | 3-(3-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: | Cc1c(cccc1[Cl])NC1c2ccc(cc2S(N=1)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5206 |
| logD: | 3.0446 |
| logSw: | -3.9534 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.528 |
| InChI Key: | HMXSFYHTNXZPLC-UHFFFAOYSA-N |