methyl {2-[N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidamido]-6-oxo-1,6-dihydropyrimidin-4-yl}acetate
Chemical Structure Depiction of
methyl {2-[N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidamido]-6-oxo-1,6-dihydropyrimidin-4-yl}acetate
methyl {2-[N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidamido]-6-oxo-1,6-dihydropyrimidin-4-yl}acetate
Compound characteristics
| Compound ID: | Y021-1773 |
| Compound Name: | methyl {2-[N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidamido]-6-oxo-1,6-dihydropyrimidin-4-yl}acetate |
| Molecular Weight: | 359.34 |
| Molecular Formula: | C16 H17 N5 O5 |
| Smiles: | COC(CC1=CC(NC(NC(=N)Nc2ccc3c(c2)OCCO3)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0948 |
| logD: | -0.0738 |
| logSw: | -1.8952 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 109.06 |
| InChI Key: | KEWBMJXRHOFATB-UHFFFAOYSA-N |