methyl 2-{[2-(3-chlorobenzamido)-1,1,1,3,3,3-hexafluoropropan-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(3-chlorobenzamido)-1,1,1,3,3,3-hexafluoropropan-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[2-(3-chlorobenzamido)-1,1,1,3,3,3-hexafluoropropan-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8010-4240 |
| Compound Name: | methyl 2-{[2-(3-chlorobenzamido)-1,1,1,3,3,3-hexafluoropropan-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 514.87 |
| Molecular Formula: | C20 H17 Cl F6 N2 O3 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(C(F)(F)F)(C(F)(F)F)NC(c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0143 |
| logD: | 0.1086 |
| logSw: | -6.1814 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.416 |
| InChI Key: | DHQXQWYPYHNRLK-UHFFFAOYSA-N |