N-(4-chlorophenyl)-2-[4-(2-methylpropyl)-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-chlorophenyl)-2-[4-(2-methylpropyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide
N-(4-chlorophenyl)-2-[4-(2-methylpropyl)-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: | L397-0371 |
| Compound Name: | N-(4-chlorophenyl)-2-[4-(2-methylpropyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide |
| Molecular Weight: | 431.9 |
| Molecular Formula: | C19 H18 Cl N5 O3 S |
| Smiles: | CC(C)CN1C2=NN(CC(Nc3ccc(cc3)[Cl])=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8613 |
| logD: | 3.8613 |
| logSw: | -4.3709 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.375 |
| InChI Key: | PAVQQJNOCJOFGR-UHFFFAOYSA-N |