2-[({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Chemical Structure Depiction of
2-[({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
2-[({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C200-8940 |
| Compound Name: | 2-[({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
| Molecular Weight: | 447.54 |
| Molecular Formula: | C22 H17 N5 O2 S2 |
| Smiles: | CSc1ccc(cc1)c1nc(CSC2NC(c3c(c(c[nH]3)c3ccccc3)N=2)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 5.2061 |
| logD: | 5.2042 |
| logSw: | -5.1073 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.337 |
| InChI Key: | QRSXEEYFOAXTFK-UHFFFAOYSA-N |