N-[2-(4-chlorophenyl)ethyl]-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-(4-chlorophenyl)ethyl]-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-(4-chlorophenyl)ethyl]-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: | M447-0076 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-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: | 457.94 |
| Molecular Formula: | C20 H20 Cl N7 O2 S |
| Smiles: | C1CCN(C1)c1nc2c(C3=NN(CC(NCCc4ccc(cc4)[Cl])=O)C(N3C=N2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.8083 |
| logD: | 2.7904 |
| logSw: | -3.5776 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.215 |
| InChI Key: | KYZIULBVKOKWEL-UHFFFAOYSA-N |