N-[(2H-1,3-benzodioxol-5-yl)methyl]-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-[(2H-1,3-benzodioxol-5-yl)methyl]-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-[(2H-1,3-benzodioxol-5-yl)methyl]-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: | M447-0070 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-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: | 453.48 |
| Molecular Formula: | C20 H19 N7 O4 S |
| Smiles: | C1CCN(C1)c1nc2c(C3=NN(CC(NCc4ccc5c(c4)OCO5)=O)C(N3C=N2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.3519 |
| logD: | 2.3504 |
| logSw: | -2.9771 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.489 |
| InChI Key: | UMAZDNMONDTUGZ-UHFFFAOYSA-N |