N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1463 |
| Compound Name: | N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C18 H17 N3 O4 S3 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(Nc1nc2ccc(cc2s1)OC)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5947 |
| logD: | 3.3621 |
| logSw: | -3.9651 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.345 |
| InChI Key: | PTEDQNNAOURGSK-SNVBAGLBSA-N |