ethyl 6-{[(2-methoxyphenyl)methyl]carbamoyl}-6-methyl-5-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
Chemical Structure Depiction of
ethyl 6-{[(2-methoxyphenyl)methyl]carbamoyl}-6-methyl-5-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
ethyl 6-{[(2-methoxyphenyl)methyl]carbamoyl}-6-methyl-5-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
Compound characteristics
| Compound ID: | E853-2539 |
| Compound Name: | ethyl 6-{[(2-methoxyphenyl)methyl]carbamoyl}-6-methyl-5-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate |
| Molecular Weight: | 536.65 |
| Molecular Formula: | C28 H32 N4 O5 S |
| Smiles: | CCOC(c1cc2C(N(CCc3ccc(cc3)SC)C(C)(Cn2n1)C(NCc1ccccc1OC)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1792 |
| logD: | 4.1792 |
| logSw: | -4.1565 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.107 |
| InChI Key: | BQULQCVGSSDVTO-NDEPHWFRSA-N |