N-(3-chloro-4-methoxyphenyl)-4-[5-oxo-4-(propan-2-yl)-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-[5-oxo-4-(propan-2-yl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
N-(3-chloro-4-methoxyphenyl)-4-[5-oxo-4-(propan-2-yl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
Compound characteristics
| Compound ID: | E596-0472 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-4-[5-oxo-4-(propan-2-yl)-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide |
| Molecular Weight: | 459.95 |
| Molecular Formula: | C21 H22 Cl N5 O3 S |
| Smiles: | CC(C)N1C(c2c(ccs2)n2c(CCCC(Nc3ccc(c(c3)[Cl])OC)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1512 |
| logD: | 3.1507 |
| logSw: | -3.5352 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.497 |
| InChI Key: | BDEDLDDSHYFCBZ-UHFFFAOYSA-N |