ethyl 4-{4-[4-(3-methylbutyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanoyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{4-[4-(3-methylbutyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanoyl}piperazine-1-carboxylate
ethyl 4-{4-[4-(3-methylbutyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanoyl}piperazine-1-carboxylate
Compound characteristics
Compound ID: | C200-2934 |
Compound Name: | ethyl 4-{4-[4-(3-methylbutyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanoyl}piperazine-1-carboxylate |
Molecular Weight: | 488.61 |
Molecular Formula: | C23 H32 N6 O4 S |
Smiles: | CCOC(N1CCN(CC1)C(CCCc1nnc2N(CCC(C)C)C(c3c(ccs3)n12)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.5001 |
logD: | 2.5001 |
logSw: | -2.4616 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 80.147 |
InChI Key: | YPEDGBHUGBNBRC-UHFFFAOYSA-N |