N-(3-cyanophenyl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(3-cyanophenyl)-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-3290 |
| Compound Name: | N-(3-cyanophenyl)-3-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: | CC1CSc2ccc(cc2NC1=O)S(Nc1cccc(C#N)c1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9404 |
| logD: | 2.26 |
| logSw: | -3.5808 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.153 |
| InChI Key: | PLEXNKHIIMQEPQ-LLVKDONJSA-N |