2-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3-(2-phenylethyl)-N-[2-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3-(2-phenylethyl)-N-[2-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
2-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3-(2-phenylethyl)-N-[2-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | A0017035 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3-(2-phenylethyl)-N-[2-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 614.11 |
| Molecular Formula: | C30 H23 Cl F3 N3 O2 S2 |
| Smiles: | Cc1c2C(N(CCc3ccccc3)C(=Nc2sc1C(Nc1ccccc1C(F)(F)F)=O)SCc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.6764 |
| logD: | 7.6749 |
| logSw: | -6.4003 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.045 |
| InChI Key: | APRTVIYXGMDBKR-UHFFFAOYSA-N |