N-(4-cyanophenyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(4-cyanophenyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2295 |
| Compound Name: | N-(4-cyanophenyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 373.45 |
| Molecular Formula: | C17 H15 N3 O3 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(Nc1ccc(C#N)cc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5617 |
| logD: | 1.5181 |
| logSw: | -3.1502 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.096 |
| InChI Key: | IFZHXLGDNBTRNA-LLVKDONJSA-N |