N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-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: | M447-0449 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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: | 467.51 |
| Molecular Formula: | C21 H21 N7 O4 S |
| Smiles: | C1CCN(CC1)c1nc2c(C3=NN(CC(Nc4ccc5c(c4)OCCO5)=O)C(N3C=N2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.1369 |
| logD: | 2.1355 |
| logSw: | -3.022 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.509 |
| InChI Key: | GCTFSKRTQPISEH-UHFFFAOYSA-N |