6-nitro-3-[(pentan-3-yl)amino]-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
6-nitro-3-[(pentan-3-yl)amino]-1H-1lambda~6~,2-benzothiazole-1,1-dione
6-nitro-3-[(pentan-3-yl)amino]-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
| Compound ID: | 8006-3824 |
| Compound Name: | 6-nitro-3-[(pentan-3-yl)amino]-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| Molecular Weight: | 297.33 |
| Molecular Formula: | C12 H15 N3 O4 S |
| Smiles: | CCC(CC)NC1c2ccc(cc2S(N=1)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8924 |
| logD: | 2.8924 |
| logSw: | -3.6226 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.728 |
| InChI Key: | FNBZANSTWMJZTO-UHFFFAOYSA-N |