propan-2-yl 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
propan-2-yl 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
propan-2-yl 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: | D717-0175 |
| Compound Name: | propan-2-yl 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: | 449.48 |
| Molecular Formula: | C20 H21 F2 N5 O3 S |
| Smiles: | CC(C)OC(c1c2CCCCc2sc1NC(c1nc2nc(C)cc(C(F)F)n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4868 |
| logD: | 0.6184 |
| logSw: | -3.9511 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.098 |
| InChI Key: | OHLCUHAXUSHEMQ-UHFFFAOYSA-N |