3-[4-(2,1,3-benzothiadiazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-cyclopropylpropanamide
Chemical Structure Depiction of
3-[4-(2,1,3-benzothiadiazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-cyclopropylpropanamide
3-[4-(2,1,3-benzothiadiazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-cyclopropylpropanamide
Compound characteristics
| Compound ID: | S629-1898 |
| Compound Name: | 3-[4-(2,1,3-benzothiadiazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-cyclopropylpropanamide |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C21 H22 N4 O4 S2 |
| Smiles: | C(Cc1ccc2c(CN(CCO2)S(c2cccc3c2nsn3)(=O)=O)c1)C(NC1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9318 |
| logD: | 2.9318 |
| logSw: | -3.4585 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.103 |
| InChI Key: | TUJWTNMBVLUIFM-UHFFFAOYSA-N |