N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(thiophen-2-yl)methyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(thiophen-2-yl)methyl]-beta-alaninamide
N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(thiophen-2-yl)methyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C105-2596 |
| Compound Name: | N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(thiophen-2-yl)methyl]-beta-alaninamide |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C14 H14 N4 O3 S3 |
| Smiles: | C(CNS(c1cccc2c1nsn2)(=O)=O)C(NCc1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0009 |
| logD: | 1.9969 |
| logSw: | -2.556 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.281 |
| InChI Key: | BMKSLXOYHULCSY-UHFFFAOYSA-N |