ethyl 6-tert-butyl-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-tert-butyl-2-{4-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-tert-butyl-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: | C071-0683 |
| Compound Name: | ethyl 6-tert-butyl-2-{4-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 643.77 |
| Molecular Formula: | C28 H32 F3 N3 O5 S3 |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(CCCS(c1nc(cc(C(F)(F)F)n1)c1cccs1)(=O)=O)=O)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3724 |
| logD: | 3.2339 |
| logSw: | -5.4703 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.489 |
| InChI Key: | GQFMFVVDBYHTMW-MRXNPFEDSA-N |