methyl 6-ethyl-2-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-7-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 6-ethyl-2-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-7-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-ethyl-2-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-7-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y505-2754 |
| Compound Name: | methyl 6-ethyl-2-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-7-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C19 H21 N5 O3 S |
| Smiles: | CCC1CCc2c(C(=O)OC)c(NC(c3cc(C)nc4ncnn34)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1477 |
| logD: | -0.4228 |
| logSw: | -3.3652 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.78 |
| InChI Key: | BNKNJIRJQGAWQJ-LLVKDONJSA-N |