N-(3,4-dimethylphenyl)-2-[2-methyl-4-oxo-7-(piperidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-2-[2-methyl-4-oxo-7-(piperidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-(3,4-dimethylphenyl)-2-[2-methyl-4-oxo-7-(piperidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | G640-0995 |
| Compound Name: | N-(3,4-dimethylphenyl)-2-[2-methyl-4-oxo-7-(piperidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 501.67 |
| Molecular Formula: | C25 H31 N3 O4 S2 |
| Smiles: | CC1CC(N(CC(Nc2ccc(C)c(C)c2)=O)c2cc(ccc2S1)S(N1CCCCC1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8768 |
| logD: | 4.8768 |
| logSw: | -4.4696 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.81 |
| InChI Key: | MSCACKCIMLKINI-LJQANCHMSA-N |