N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
Chemical Structure Depiction of
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
Compound characteristics
| Compound ID: | C200-2933 |
| Compound Name: | N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide |
| Molecular Weight: | 521.68 |
| Molecular Formula: | C27 H35 N7 O2 S |
| Smiles: | CCN1CCN(CC1)c1ccc(cc1)NC(CCCc1nnc2N(CC(C)C)C(c3c(ccs3)n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2598 |
| logD: | 2.5744 |
| logSw: | -3.6779 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.135 |
| InChI Key: | FLDWWRSHVRUBBY-UHFFFAOYSA-N |