N-(3,4-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-(3,4-dimethylphenyl)-2-[2-methyl-7-(4-methylpiperidine-1-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-(3,4-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: | G640-1085 |
| Compound Name: | N-(3,4-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(Nc1ccc(C)c(C)c1)=O)C(CC(C)S2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3508 |
| logD: | 5.3508 |
| logSw: | -5.3081 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.81 |
| InChI Key: | ZJRUHVBFZOEXQJ-HXUWFJFHSA-N |