ethyl 2-{[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}-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}-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}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6466-1361 |
| Compound Name: | ethyl 2-{[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 435.45 |
| Molecular Formula: | C19 H19 F2 N5 O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1nc2nc(C)cc(C(F)F)n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9766 |
| logD: | 0.1081 |
| logSw: | -3.2382 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.419 |
| InChI Key: | AAPXCDKTXKTBQD-UHFFFAOYSA-N |