N-(3-methylphenyl)-2-(3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Chemical Structure Depiction of
N-(3-methylphenyl)-2-(3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
N-(3-methylphenyl)-2-(3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Compound characteristics
Compound ID: | F815-0453 |
Compound Name: | N-(3-methylphenyl)-2-(3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide |
Molecular Weight: | 393.47 |
Molecular Formula: | C20 H19 N5 O2 S |
Smiles: | Cc1cccc(c1)NC(CN1C(N2C=Nc3c(C2=N1)c1CCCCc1s3)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.5786 |
logD: | 3.5786 |
logSw: | -3.9198 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.66 |
InChI Key: | IVRMCIGNTXZDPO-UHFFFAOYSA-N |