N-(3,5-dimethylphenyl)-5-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-5-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-(3,5-dimethylphenyl)-5-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | A0016916 |
| Compound Name: | N-(3,5-dimethylphenyl)-5-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 584.72 |
| Molecular Formula: | C31 H28 N4 O4 S2 |
| Smiles: | Cc1cc(C)cc(c1)NC(c1c(C)c2C(N(CCc3ccccc3)C(=Nc2s1)SCc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8622 |
| logD: | 6.8619 |
| logSw: | -5.7161 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.124 |
| InChI Key: | BAXWNQPFSMTWGM-UHFFFAOYSA-N |