2-[(4-chloro-3-methylphenoxy)methyl]-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-chloro-3-methylphenoxy)methyl]-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[(4-chloro-3-methylphenoxy)methyl]-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | D643-0002 |
| Compound Name: | 2-[(4-chloro-3-methylphenoxy)methyl]-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 409.9 |
| Molecular Formula: | C20 H16 Cl N5 O S |
| Smiles: | Cc1cc(ccc1[Cl])OCc1nc2c3c(c4c(C)cc(C)nc4s3)ncn2n1 |
| Stereo: | ACHIRAL |
| logP: | 5.114 |
| logD: | 4.9684 |
| logSw: | -5.6389 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.517 |
| InChI Key: | PJQUNXBZGKORDE-UHFFFAOYSA-N |