ethyl 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 2-{4-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 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: | C071-0676 |
| Compound Name: | ethyl 2-{4-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 587.66 |
| Molecular Formula: | C24 H24 F3 N3 O5 S3 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CCCS(c1nc(cc(C(F)(F)F)n1)c1cccs1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8152 |
| logD: | 1.6766 |
| logSw: | -4.6587 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.489 |
| InChI Key: | JROUJFYOCFNEOV-UHFFFAOYSA-N |