N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
Chemical Structure Depiction of
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
Compound characteristics
| Compound ID: | C200-2854 |
| Compound Name: | N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide |
| Molecular Weight: | 528.08 |
| Molecular Formula: | C25 H30 Cl N7 O2 S |
| Smiles: | CN1C(c2c(ccs2)n2c(CCCC(NCCCN3CCN(CC3)c3cccc(c3)[Cl])=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7913 |
| logD: | 1.2052 |
| logSw: | -2.9534 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.318 |
| InChI Key: | ASVAPFAYGDAIHK-UHFFFAOYSA-N |