ethyl 2-{4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | C071-0448 |
| Compound Name: | ethyl 2-{4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 625.69 |
| Molecular Formula: | C28 H30 F3 N3 O6 S2 |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(CCCS(c1nc(cc(C(F)(F)F)n1)c1ccccc1OC)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1403 |
| logD: | 2.0017 |
| logSw: | -5.0123 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.101 |
| InChI Key: | XUZJVXYIRXXGGP-MRXNPFEDSA-N |