ethyl N-[(1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetyl]glycinate
Chemical Structure Depiction of
ethyl N-[(1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetyl]glycinate
ethyl N-[(1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetyl]glycinate
Compound characteristics
| Compound ID: | C867-0055 |
| Compound Name: | ethyl N-[(1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetyl]glycinate |
| Molecular Weight: | 354.38 |
| Molecular Formula: | C15 H18 N2 O6 S |
| Smiles: | [H]C1CC(N(CC(NCC(=O)OCC)=O)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4462 |
| logD: | 0.4462 |
| logSw: | -2.2202 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.377 |
| InChI Key: | UPWIOCWFUWTNER-UHFFFAOYSA-N |