3-(3,4-dimethylphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-(3,4-dimethylphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
3-(3,4-dimethylphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K292-1045 |
| Compound Name: | 3-(3,4-dimethylphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C21 H17 N3 O3 S2 |
| Smiles: | Cc1ccc(cc1C)N1C(=Nc2ccsc2C1=O)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2937 |
| logD: | 5.2937 |
| logSw: | -5.3365 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.559 |
| InChI Key: | LBFLTSQJKQKPFO-UHFFFAOYSA-N |