5-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-N-[2-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
5-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-N-[2-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
5-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-N-[2-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | A0016915 |
| Compound Name: | 5-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-N-[2-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 624.66 |
| Molecular Formula: | C30 H23 F3 N4 O4 S2 |
| Smiles: | Cc1c2C(N(CCc3ccccc3)C(=Nc2sc1C(Nc1ccccc1C(F)(F)F)=O)SCc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8831 |
| logD: | 6.8816 |
| logSw: | -5.7949 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.427 |
| InChI Key: | QWDISKWKWGCTRF-UHFFFAOYSA-N |