2-({[3-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
2-({[3-(3,4-dimethoxyphenyl)-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: | C200-8942 |
| Compound Name: | 2-({[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
| Molecular Weight: | 461.5 |
| Molecular Formula: | C23 H19 N5 O4 S |
| Smiles: | COc1ccc(cc1OC)c1nc(CSC2NC(c3c(c(c[nH]3)c3ccccc3)N=2)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.1093 |
| logD: | 4.1073 |
| logSw: | -4.3578 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.598 |
| InChI Key: | BRUZKWJKEHSUAJ-UHFFFAOYSA-N |