N-(3-chloro-4-methoxyphenyl)-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-chloro-4-methoxyphenyl)-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
N-(3-chloro-4-methoxyphenyl)-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: | E596-0014 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide |
| Molecular Weight: | 431.9 |
| Molecular Formula: | C19 H18 Cl N5 O3 S |
| Smiles: | CN1C(c2c(ccs2)n2c(CCCC(Nc3ccc(c(c3)[Cl])OC)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2508 |
| logD: | 2.2503 |
| logSw: | -3.3379 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.542 |
| InChI Key: | MMENZSFSLGMBON-UHFFFAOYSA-N |