N-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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: | F815-0503 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-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: | 453.52 |
| Molecular Formula: | C22 H23 N5 O4 S |
| Smiles: | COc1ccc(cc1OC)NC(CN1C(N2C=Nc3c(C2=N1)c1CCCCCc1s3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2495 |
| logD: | 3.2495 |
| logSw: | -3.6074 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.252 |
| InChI Key: | UBCOCWHWDBTGJS-UHFFFAOYSA-N |