2-{4-[(4-chlorophenoxy)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-{4-[(4-chlorophenoxy)methyl]phenyl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{4-[(4-chlorophenoxy)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: | Y503-4760 |
| Compound Name: | 2-{4-[(4-chlorophenoxy)methyl]phenyl}-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 471.97 |
| Molecular Formula: | C25 H18 Cl N5 O S |
| Smiles: | Cc1cc(C)nc2c1c1c(c3nc(c4ccc(COc5ccc(cc5)[Cl])cc4)nn3cn1)s2 |
| Stereo: | ACHIRAL |
| logP: | 6.3129 |
| logD: | 6.1673 |
| logSw: | -6.4697 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.255 |
| InChI Key: | YTWBQMITNHFLBG-UHFFFAOYSA-N |