2-[(2,4-dimethylphenoxy)methyl]-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-[(2,4-dimethylphenoxy)methyl]-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[(2,4-dimethylphenoxy)methyl]-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | D643-0058 |
| Compound Name: | 2-[(2,4-dimethylphenoxy)methyl]-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 443.45 |
| Molecular Formula: | C21 H16 F3 N5 O S |
| Smiles: | Cc1ccc(c(C)c1)OCc1nc2c3c(c4c(C)cc(C(F)(F)F)nc4s3)ncn2n1 |
| Stereo: | ACHIRAL |
| logP: | 5.8032 |
| logD: | 5.8018 |
| logSw: | -5.9316 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.797 |
| InChI Key: | WCYAZVHPNBWFRT-UHFFFAOYSA-N |