3-(butan-2-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-(butan-2-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
3-(butan-2-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K292-1011 |
| Compound Name: | 3-(butan-2-yl)-2-{[(4-nitrophenyl)methyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 375.47 |
| Molecular Formula: | C17 H17 N3 O3 S2 |
| Smiles: | CCC(C)N1C(=Nc2ccsc2C1=O)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1864 |
| logD: | 4.1864 |
| logSw: | -4.1563 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.748 |
| InChI Key: | LNJCIZWQPVNSCN-NSHDSACASA-N |