2-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | C071-0564 |
| Compound Name: | 2-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 626.67 |
| Molecular Formula: | C27 H29 F3 N4 O6 S2 |
| Smiles: | CC1CCc2c(C(N)=O)c(NC(CCCS(c3nc(cc(C(F)(F)F)n3)c3ccc(c(c3)OC)OC)(=O)=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9604 |
| logD: | 1.8573 |
| logSw: | -3.6677 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 119.036 |
| InChI Key: | APFOIHXLNMYBTF-CQSZACIVSA-N |