3-[(pentan-3-yl)amino]-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
3-[(pentan-3-yl)amino]-1H-1lambda~6~,2-benzothiazole-1,1-dione
3-[(pentan-3-yl)amino]-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
| Compound ID: | 8003-7481 |
| Compound Name: | 3-[(pentan-3-yl)amino]-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| Molecular Weight: | 252.33 |
| Molecular Formula: | C12 H16 N2 O2 S |
| Smiles: | CCC(CC)NC1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.683 |
| logD: | 2.683 |
| logSw: | -3.3662 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.347 |
| InChI Key: | AKBUSQOJTCYPRO-UHFFFAOYSA-N |