6-nitro-3-[2-(propan-2-yl)anilino]-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
6-nitro-3-[2-(propan-2-yl)anilino]-1H-1lambda~6~,2-benzothiazole-1,1-dione
6-nitro-3-[2-(propan-2-yl)anilino]-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
| Compound ID: | 8006-6512 |
| Compound Name: | 6-nitro-3-[2-(propan-2-yl)anilino]-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| Molecular Weight: | 345.37 |
| Molecular Formula: | C16 H15 N3 O4 S |
| Smiles: | CC(C)c1ccccc1NC1c2ccc(cc2S(N=1)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3209 |
| logD: | 3.3194 |
| logSw: | -3.8646 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.528 |
| InChI Key: | OEZWVRUITLZYGR-UHFFFAOYSA-N |