3-(3-methylbutyl)-2-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-(3-methylbutyl)-2-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
3-(3-methylbutyl)-2-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K292-1120 |
| Compound Name: | 3-(3-methylbutyl)-2-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 417.5 |
| Molecular Formula: | C19 H19 N3 O4 S2 |
| Smiles: | CC(C)CCN1C(=Nc2ccsc2C1=O)SCC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6715 |
| logD: | 4.6715 |
| logSw: | -4.3774 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.668 |
| InChI Key: | FFYKFDJSJSYSRG-UHFFFAOYSA-N |