ethyl 4-[2-(1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-(1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamido]benzoate
ethyl 4-[2-(1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | C867-0048 |
| Compound Name: | ethyl 4-[2-(1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamido]benzoate |
| Molecular Weight: | 416.45 |
| Molecular Formula: | C20 H20 N2 O6 S |
| Smiles: | [H]C1CC(N(CC(Nc2ccc(cc2)C(=O)OCC)=O)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6485 |
| logD: | 2.6483 |
| logSw: | -3.1206 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.379 |
| InChI Key: | RZEPSWCLCKHCJN-UHFFFAOYSA-N |