2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1594 |
| Compound Name: | 2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C18 H17 N3 O3 S3 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(Nc1nc2ccc(C)cc2s1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9267 |
| logD: | 3.6311 |
| logSw: | -3.9194 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.801 |
| InChI Key: | KVXODTCNPIVTGC-LLVKDONJSA-N |