N-(1,3-benzothiazol-2-yl)-N~3~-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)carbamoyl]-beta-alaninamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-N~3~-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)carbamoyl]-beta-alaninamide
N-(1,3-benzothiazol-2-yl)-N~3~-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)carbamoyl]-beta-alaninamide
Compound characteristics
| Compound ID: | Y043-7290 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-N~3~-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)carbamoyl]-beta-alaninamide |
| Molecular Weight: | 382.46 |
| Molecular Formula: | C15 H18 N4 O4 S2 |
| Smiles: | C1CS(CC1NC(NCCC(Nc1nc2ccccc2s1)=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4906 |
| logD: | 0.4905 |
| logSw: | -2.0993 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.1 |
| InChI Key: | CRVGGNFUTZLXTL-SNVBAGLBSA-N |