ethyl 2-{[rel-(5R,7R)-7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[rel-(5R,7R)-7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[rel-(5R,7R)-7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 7213-0660 |
| Compound Name: | ethyl 2-{[rel-(5R,7R)-7-(difluoromethyl)-5-methyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 453.51 |
| Molecular Formula: | C20 H25 F2 N5 O3 S |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(c1nc2N[C@H](C)C[C@H](C(F)F)n2n1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.697 |
| logD: | 1.2542 |
| logSw: | -4.2478 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.73 |
| InChI Key: | WZXJYSAKOXTCJJ-YWTFCRFGSA-N |