2-{[(4-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)thieno[3,2-d]pyrimidin-4(3H)-one
2-{[(4-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K292-0652 |
| Compound Name: | 2-{[(4-nitrophenyl)methyl]sulfanyl}-3-(2-phenylethyl)thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C21 H17 N3 O3 S2 |
| Smiles: | C(CN1C(=Nc2ccsc2C1=O)SCc1ccc(cc1)[N+]([O-])=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.736 |
| logD: | 4.736 |
| logSw: | -4.6716 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.149 |
| InChI Key: | WHVPSQHOIAMNLW-UHFFFAOYSA-N |