N-[2-(4-chlorophenyl)ethyl]-4-(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-4-(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
N-[2-(4-chlorophenyl)ethyl]-4-(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
Compound characteristics
| Compound ID: | E596-0721 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-4-(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide |
| Molecular Weight: | 457.98 |
| Molecular Formula: | C22 H24 Cl N5 O2 S |
| Smiles: | CCCN1C(c2c(ccs2)n2c(CCCC(NCCc3ccc(cc3)[Cl])=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8371 |
| logD: | 2.8371 |
| logSw: | -3.5331 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.288 |
| InChI Key: | GEMOLUQCMMQPII-UHFFFAOYSA-N |