ethyl 2-{[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
Compound ID: | 6466-1370 |
Compound Name: | ethyl 2-{[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
Molecular Weight: | 463.5 |
Molecular Formula: | C21 H23 F2 N5 O3 S |
Smiles: | CCC1CCc2c(C(=O)OCC)c(NC(c3nc4nc(C)cc(C(F)F)n4n3)=O)sc2C1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.956 |
logD: | 1.0875 |
logSw: | -4.2591 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 73.419 |
InChI Key: | ISBRJJVZSHATOQ-LLVKDONJSA-N |