N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | Y508-9484 |
| Compound Name: | N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 406.41 |
| Molecular Formula: | C17 H16 F2 N6 O2 S |
| Smiles: | Cc1cc(C(F)F)n2c(n1)nc(C(Nc1c(C(N)=O)c3CCCCc3s1)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 0.8314 |
| logD: | -0.03 |
| logSw: | -2.1945 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.724 |
| InChI Key: | DZAHCWWLRZXKBK-UHFFFAOYSA-N |