ethyl 6-methyl-2-{4-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-methyl-2-{4-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-methyl-2-{4-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | C071-0682 |
| Compound Name: | ethyl 6-methyl-2-{4-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 601.69 |
| Molecular Formula: | C25 H26 F3 N3 O5 S3 |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(CCCS(c1nc(cc(C(F)(F)F)n1)c1cccs1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2491 |
| logD: | 2.1106 |
| logSw: | -5.1018 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.489 |
| InChI Key: | HTJIQRKDSFUKHL-CQSZACIVSA-N |