3-amino-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-[(1-oxo-1-{[(oxolan-2-yl)methyl]amino}butan-2-yl)sulfanyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-amino-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-[(1-oxo-1-{[(oxolan-2-yl)methyl]amino}butan-2-yl)sulfanyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
3-amino-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-[(1-oxo-1-{[(oxolan-2-yl)methyl]amino}butan-2-yl)sulfanyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K285-5208 |
| Compound Name: | 3-amino-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-[(1-oxo-1-{[(oxolan-2-yl)methyl]amino}butan-2-yl)sulfanyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 529.68 |
| Molecular Formula: | C25 H31 N5 O4 S2 |
| Smiles: | CCC(C(NCC1CCCO1)=O)SC1=Nc2c(C(N1N)=O)c(C)c(C(Nc1ccc(C)cc1C)=O)s2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2028 |
| logD: | 3.2009 |
| logSw: | -3.2917 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 98.183 |
| InChI Key: | NNGDCJQUYLFKIC-UHFFFAOYSA-N |