1-(3,4-dimethoxyphenyl)-N-[(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methoxy]methanimine
Chemical Structure Depiction of
1-(3,4-dimethoxyphenyl)-N-[(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methoxy]methanimine
1-(3,4-dimethoxyphenyl)-N-[(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methoxy]methanimine
Compound characteristics
| Compound ID: | 4072-2793 |
| Compound Name: | 1-(3,4-dimethoxyphenyl)-N-[(9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methoxy]methanimine |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C22 H23 N5 O3 S |
| Smiles: | COc1ccc(/C=N/OCc2nc3c4c5CCCCCc5sc4N=Cn3n2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.972 |
| logD: | 3.9702 |
| logSw: | -4.3919 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.531 |
| InChI Key: | YISZPHYTQPYJNY-UHFFFAOYSA-N |