N-(2,4,6-trimethylphenyl)-2-(1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide
Chemical Structure Depiction of
N-(2,4,6-trimethylphenyl)-2-(1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide
N-(2,4,6-trimethylphenyl)-2-(1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide
Compound characteristics
| Compound ID: | C867-0017 |
| Compound Name: | N-(2,4,6-trimethylphenyl)-2-(1,1,4-trioxo-1,2,3,4-tetrahydro-5H-1lambda~6~,5-benzothiazepin-5-yl)acetamide |
| Molecular Weight: | 386.47 |
| Molecular Formula: | C20 H22 N2 O4 S |
| Smiles: | [H]C1CC(N(CC(Nc2c(C)cc(C)cc2C)=O)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5603 |
| logD: | 2.5603 |
| logSw: | -2.8691 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.229 |
| InChI Key: | UJBMDEVAUYRQMS-UHFFFAOYSA-N |