N-(2-ethyl-6-methylphenyl)-2-[3-oxo-8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(2-ethyl-6-methylphenyl)-2-[3-oxo-8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
N-(2-ethyl-6-methylphenyl)-2-[3-oxo-8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | M447-0117 |
| Compound Name: | N-(2-ethyl-6-methylphenyl)-2-[3-oxo-8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C21 H23 N7 O2 S |
| Smiles: | CCc1cccc(C)c1NC(CN1C(N2C=Nc3c(C2=N1)sc(n3)N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5297 |
| logD: | 3.5283 |
| logSw: | -3.5369 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.656 |
| InChI Key: | BEKDKMOVSIMZSN-UHFFFAOYSA-N |