2-{[3-(3,5-dimethylphenyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[3-(3,5-dimethylphenyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide
2-{[3-(3,5-dimethylphenyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | C280-1052 |
| Compound Name: | 2-{[3-(3,5-dimethylphenyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 469.6 |
| Molecular Formula: | C24 H24 F N3 O2 S2 |
| Smiles: | CC1CC2=C(C(N(C(=N2)SCC(NCc2ccc(cc2)F)=O)c2cc(C)cc(C)c2)=O)S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4114 |
| logD: | 4.4108 |
| logSw: | -4.2347 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.968 |
| InChI Key: | BBWVJKGGIXKZDR-INIZCTEOSA-N |