ethyl 4-{4-[4-(2-methylpropyl)-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-(2-methylpropyl)-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-(2-methylpropyl)-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: | C200-2879 |
| Compound Name: | ethyl 4-{4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanoyl}piperazine-1-carboxylate |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C22 H30 N6 O4 S |
| Smiles: | CCOC(N1CCN(CC1)C(CCCc1nnc2N(CC(C)C)C(c3c(ccs3)n12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1628 |
| logD: | 2.1628 |
| logSw: | -2.4174 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.169 |
| InChI Key: | XGVTXLOWYYGAJZ-UHFFFAOYSA-N |