ethyl 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
ethyl 2-[([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 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: | Y502-8550 |
| Compound Name: | ethyl 2-[([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 371.42 |
| Molecular Formula: | C17 H17 N5 O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1nc2ncccn2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9313 |
| logD: | -1.6565 |
| logSw: | -2.5507 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.416 |
| InChI Key: | ZFLQFYRRNVZJFK-UHFFFAOYSA-N |