N-(3-chloro-2-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-(3-chloro-2-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-(3-chloro-2-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: | F815-0585 |
| Compound Name: | N-(3-chloro-2-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: | 441.94 |
| Molecular Formula: | C21 H20 Cl N5 O2 S |
| Smiles: | Cc1c(cccc1[Cl])NC(CN1C(N2C=Nc3c(C2=N1)c1CCCCCc1s3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.522 |
| logD: | 4.5219 |
| logSw: | -4.7086 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.293 |
| InChI Key: | PWVJAGYZXDPHHR-UHFFFAOYSA-N |