methyl 2-[([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-[([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6466-1255 |
| Compound Name: | methyl 2-[([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 357.39 |
| Molecular Formula: | C16 H15 N5 O3 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(c1nc2ncccn2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.549 |
| logD: | -2.0388 |
| logSw: | -2.3702 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.837 |
| InChI Key: | DCUHHPZXDUEOPU-UHFFFAOYSA-N |