N-(2-ethyl-6-methylphenyl)-2-(3-oxo-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Chemical Structure Depiction of
N-(2-ethyl-6-methylphenyl)-2-(3-oxo-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
N-(2-ethyl-6-methylphenyl)-2-(3-oxo-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide
Compound characteristics
| Compound ID: | C201-1454 |
| Compound Name: | N-(2-ethyl-6-methylphenyl)-2-(3-oxo-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamide |
| Molecular Weight: | 435.55 |
| Molecular Formula: | C23 H25 N5 O2 S |
| Smiles: | CCc1cccc(C)c1NC(CN1C(N2C=Nc3c(C2=N1)c1CCCCCc1s3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3833 |
| logD: | 4.3833 |
| logSw: | -4.2999 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.595 |
| InChI Key: | WZZDOMWLMOHHME-UHFFFAOYSA-N |