2-{3-[(2,4-dimethylphenoxy)methyl]phenyl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{3-[(2,4-dimethylphenoxy)methyl]phenyl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{3-[(2,4-dimethylphenoxy)methyl]phenyl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y504-4912 |
| Compound Name: | 2-{3-[(2,4-dimethylphenoxy)methyl]phenyl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 465.58 |
| Molecular Formula: | C27 H23 N5 O S |
| Smiles: | Cc1ccc(c(C)c1)OCc1cccc(c1)c1nc2c3c(c4c(C)cc(C)nc4s3)ncn2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.9053 |
| logD: | 6.7598 |
| logSw: | -6.1921 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.341 |
| InChI Key: | VDIVUTDHQXRSEJ-UHFFFAOYSA-N |