ethyl 2-{[7-(difluoromethyl)-5-methyl[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-{[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-methyl-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-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 7213-0615 |
| Compound Name: | ethyl 2-{[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 449.48 |
| Molecular Formula: | C20 H21 F2 N5 O3 S |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(c1nc2nc(C)cc(C(F)F)n2n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4105 |
| logD: | 0.5421 |
| logSw: | -3.8042 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.419 |
| InChI Key: | GUYPNNVWEYSWNS-SECBINFHSA-N |