2-[(cyanomethyl)sulfanyl]-N-(3,5-dimethylphenyl)-5-methyl-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-[(cyanomethyl)sulfanyl]-N-(3,5-dimethylphenyl)-5-methyl-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
2-[(cyanomethyl)sulfanyl]-N-(3,5-dimethylphenyl)-5-methyl-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | A0016856 |
| Compound Name: | 2-[(cyanomethyl)sulfanyl]-N-(3,5-dimethylphenyl)-5-methyl-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 488.63 |
| Molecular Formula: | C26 H24 N4 O2 S2 |
| Smiles: | Cc1cc(C)cc(c1)NC(c1c(C)c2C(N(CCc3ccccc3)C(=Nc2s1)SCC#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9865 |
| logD: | 4.9861 |
| logSw: | -4.6921 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.506 |
| InChI Key: | PLUMTEJPHDXAAF-UHFFFAOYSA-N |