6-amino-2-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-phenylpyrimidin-4(3H)-one
Chemical Structure Depiction of
6-amino-2-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-phenylpyrimidin-4(3H)-one
6-amino-2-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-phenylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 7525-0554 |
| Compound Name: | 6-amino-2-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-phenylpyrimidin-4(3H)-one |
| Molecular Weight: | 437.48 |
| Molecular Formula: | C21 H19 N5 O4 S |
| Smiles: | COc1ccc(cc1OC)c1nc(CSC2NC(C(=C(N)N=2)c2ccccc2)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.8152 |
| logD: | 2.8135 |
| logSw: | -3.528 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.158 |
| InChI Key: | DPULKEALEJMMGT-UHFFFAOYSA-N |