methyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorobenzamido)-3,3,3-trifluoroalaninate
Chemical Structure Depiction of
methyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorobenzamido)-3,3,3-trifluoroalaninate
methyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorobenzamido)-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 8010-7684 |
| Compound Name: | methyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorobenzamido)-3,3,3-trifluoroalaninate |
| Molecular Weight: | 524.34 |
| Molecular Formula: | C20 H18 Cl2 F3 N3 O4 S |
| Smiles: | COC(C(C(F)(F)F)(NC(c1ccc(cc1[Cl])[Cl])=O)Nc1c(C(N)=O)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8743 |
| logD: | 0.7708 |
| logSw: | -4.7568 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 88.475 |
| InChI Key: | OBSUEAGHBDPXAB-LJQANCHMSA-N |