2-[(3,3-dimethyl-2-oxobutyl)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-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-N-(3,5-dimethylphenyl)-5-methyl-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
2-[(3,3-dimethyl-2-oxobutyl)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: | A0016976 |
| Compound Name: | 2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-N-(3,5-dimethylphenyl)-5-methyl-4-oxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 547.74 |
| Molecular Formula: | C30 H33 N3 O3 S2 |
| Smiles: | Cc1cc(C)cc(c1)NC(c1c(C)c2C(N(CCc3ccccc3)C(=Nc2s1)SCC(C(C)(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5262 |
| logD: | 6.5259 |
| logSw: | -5.6497 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.261 |
| InChI Key: | FWCDSMQQWGKXMG-UHFFFAOYSA-N |