N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide
Chemical Structure Depiction of
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide
Compound characteristics
| Compound ID: | L397-0262 |
| Compound Name: | N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide |
| Molecular Weight: | 489.98 |
| Molecular Formula: | C22 H24 Cl N5 O4 S |
| Smiles: | CC(C)CCN1C2=NN(CC(Nc3cc(C)c(cc3OC)[Cl])=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5549 |
| logD: | 4.5542 |
| logSw: | -4.6313 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.286 |
| InChI Key: | HXTADJAFFBPLHX-UHFFFAOYSA-N |