N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[(4-methylphenyl)methyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[(4-methylphenyl)methyl]-beta-alaninamide
N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[(4-methylphenyl)methyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C105-1469 |
| Compound Name: | N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[(4-methylphenyl)methyl]-beta-alaninamide |
| Molecular Weight: | 374.42 |
| Molecular Formula: | C17 H18 N4 O4 S |
| Smiles: | Cc1ccc(CNC(CCNS(c2cccc3c2non3)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4731 |
| logD: | 2.4691 |
| logSw: | -2.7831 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.399 |
| InChI Key: | HHARDSCYHOOPOV-UHFFFAOYSA-N |