3-amino-2-{[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-amino-2-{[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
3-amino-2-{[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K285-5180 |
| Compound Name: | 3-amino-2-{[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 521.66 |
| Molecular Formula: | C26 H27 N5 O3 S2 |
| Smiles: | Cc1ccc(c(C)c1)NC(c1c(C)c2C(N(C(=Nc2s1)SCC(Nc1c(C)cccc1C)=O)N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9836 |
| logD: | 3.9817 |
| logSw: | -4.1876 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 86.597 |
| InChI Key: | XHLALRMQRXKSCP-UHFFFAOYSA-N |