N-(3-cyanophenyl)-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(3-cyanophenyl)-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | L925-0457 |
| Compound Name: | N-(3-cyanophenyl)-4-oxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C22 H22 N4 O4 S2 |
| Smiles: | C1CCN(C1)C(CC1CSc2ccc(cc2NC1=O)S(Nc1cccc(C#N)c1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4394 |
| logD: | 1.7591 |
| logSw: | -3.0862 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.64 |
| InChI Key: | UINQRNZQSZBYGC-MRXNPFEDSA-N |