N-[(2,1,3-benzothiadiazol-4-yl)carbamothioyl]-4-chlorobutanamide
Chemical Structure Depiction of
N-[(2,1,3-benzothiadiazol-4-yl)carbamothioyl]-4-chlorobutanamide
N-[(2,1,3-benzothiadiazol-4-yl)carbamothioyl]-4-chlorobutanamide
Compound characteristics
| Compound ID: | C301-0503 |
| Compound Name: | N-[(2,1,3-benzothiadiazol-4-yl)carbamothioyl]-4-chlorobutanamide |
| Molecular Weight: | 314.81 |
| Molecular Formula: | C11 H11 Cl N4 O S2 |
| Smiles: | C(CC(NC(Nc1cccc2c1nsn2)=S)=O)C[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.5251 |
| logD: | 2.522 |
| logSw: | -2.863 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.553 |
| InChI Key: | VYAMVSXBJGWJTC-UHFFFAOYSA-N |