N-[(2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3-methylbutanamide
Chemical Structure Depiction of
N-[(2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3-methylbutanamide
N-[(2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3-methylbutanamide
Compound characteristics
| Compound ID: | C301-0501 |
| Compound Name: | N-[(2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3-methylbutanamide |
| Molecular Weight: | 294.39 |
| Molecular Formula: | C12 H14 N4 O S2 |
| Smiles: | CC(C)CC(NC(Nc1cccc2c1nsn2)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1525 |
| logD: | 3.1494 |
| logSw: | -3.3096 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.553 |
| InChI Key: | UOUUBWCGJLOSMH-UHFFFAOYSA-N |