2-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-methyl-7-phenyl-3-(propan-2-yl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Chemical Structure Depiction of
2-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-methyl-7-phenyl-3-(propan-2-yl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
2-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-methyl-7-phenyl-3-(propan-2-yl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | L105-0109 |
| Compound Name: | 2-({[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-methyl-7-phenyl-3-(propan-2-yl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
| Molecular Weight: | 492 |
| Molecular Formula: | C25 H22 Cl N5 O2 S |
| Smiles: | CC(C)N1C(=Nc2c(cn(C)c2C1=O)c1ccccc1)SCc1nc(c2ccc(cc2)[Cl])no1 |
| Stereo: | ACHIRAL |
| logP: | 5.9989 |
| logD: | 5.9989 |
| logSw: | -6.062 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.28 |
| InChI Key: | XDWYKTCDBWNYCY-UHFFFAOYSA-N |