5,6-dimethyl-N~6~-(3-methylbutyl)-N~2~-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
Chemical Structure Depiction of
5,6-dimethyl-N~6~-(3-methylbutyl)-N~2~-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
5,6-dimethyl-N~6~-(3-methylbutyl)-N~2~-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
Compound characteristics
| Compound ID: | E852-1183 |
| Compound Name: | 5,6-dimethyl-N~6~-(3-methylbutyl)-N~2~-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2,6-dicarboxamide |
| Molecular Weight: | 457.59 |
| Molecular Formula: | C23 H31 N5 O3 S |
| Smiles: | CC(C)CCNC(C1(C)Cn2c(cc(C(NCc3ccc(cc3)SC)=O)n2)C(N1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7174 |
| logD: | 2.7174 |
| logSw: | -3.277 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.309 |
| InChI Key: | ANDDFNHNIBNXSV-QHCPKHFHSA-N |