N-{[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide
Chemical Structure Depiction of
N-{[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide
N-{[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide
Compound characteristics
| Compound ID: | G946-0322 |
| Compound Name: | N-{[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide |
| Molecular Weight: | 564.66 |
| Molecular Formula: | C25 H20 N6 O4 S3 |
| Smiles: | CCCN1C(c2ccccc2Sc2cc(ccc12)c1nc(CNS(c2cccc3c2nsn3)(=O)=O)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6624 |
| logD: | 4.5483 |
| logSw: | -5.4178 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.704 |
| InChI Key: | UWGJZHNYECIWDO-UHFFFAOYSA-N |