N-(3-chloro-2-methylphenyl)-2-[3-oxo-8-(piperidin-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-(3-chloro-2-methylphenyl)-2-[3-oxo-8-(piperidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
N-(3-chloro-2-methylphenyl)-2-[3-oxo-8-(piperidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | M447-0539 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-[3-oxo-8-(piperidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide |
| Molecular Weight: | 457.94 |
| Molecular Formula: | C20 H20 Cl N7 O2 S |
| Smiles: | Cc1c(cccc1[Cl])NC(CN1C(N2C=Nc3c(C2=N1)sc(n3)N1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9717 |
| logD: | 3.9702 |
| logSw: | -4.0942 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.988 |
| InChI Key: | CTJNCBNIYPFICT-UHFFFAOYSA-N |