2-{9-(methoxymethyl)-7-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl}benzoic acid
Chemical Structure Depiction of
2-{9-(methoxymethyl)-7-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl}benzoic acid
2-{9-(methoxymethyl)-7-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl}benzoic acid
Compound characteristics
| Compound ID: | D148-5031 |
| Compound Name: | 2-{9-(methoxymethyl)-7-methyl-4-oxo-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl}benzoic acid |
| Molecular Weight: | 527.52 |
| Molecular Formula: | C26 H20 F3 N3 O4 S |
| Smiles: | Cc1cc(COC)c2c3c(C(N(C(c4ccccc4C(O)=O)N3)c3cccc(c3)C(F)(F)F)=O)sc2n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.898 |
| logD: | 0.4362 |
| logSw: | -4.6211 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.838 |
| InChI Key: | IJBOISUJXHVRGL-JOCHJYFZSA-N |