methyl 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
methyl 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
methyl 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: | 6466-1358 |
| Compound Name: | methyl 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: | 421.42 |
| Molecular Formula: | C18 H17 F2 N5 O3 S |
| Smiles: | Cc1cc(C(F)F)n2c(n1)nc(C(Nc1c(C(=O)OC)c3CCCCc3s1)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 2.5943 |
| logD: | -0.2742 |
| logSw: | -2.9192 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.839 |
| InChI Key: | KGBDNIIBNDUADA-UHFFFAOYSA-N |