2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C714-0446 |
| Compound Name: | 2-[4-oxo-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 546.56 |
| Molecular Formula: | C27 H25 F3 N2 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)C1CC(N(CC(Nc2cccc(c2)C(F)(F)F)=O)c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5604 |
| logD: | 5.5595 |
| logSw: | -5.511 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.806 |
| InChI Key: | RBXINGKWURGLFF-QHCPKHFHSA-N |