N-(2,3-dimethylphenyl)-2-[2-methyl-7-(4-methylpiperidine-1-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-2-[2-methyl-7-(4-methylpiperidine-1-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-(2,3-dimethylphenyl)-2-[2-methyl-7-(4-methylpiperidine-1-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | G640-1141 |
| Compound Name: | N-(2,3-dimethylphenyl)-2-[2-methyl-7-(4-methylpiperidine-1-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 515.69 |
| Molecular Formula: | C26 H33 N3 O4 S2 |
| Smiles: | CC1CCN(CC1)S(c1ccc2c(c1)N(CC(Nc1cccc(C)c1C)=O)C(CC(C)S2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9939 |
| logD: | 4.9939 |
| logSw: | -4.5504 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.112 |
| InChI Key: | KEMLTYUTZGXNKZ-LJQANCHMSA-N |