ethyl 3-{2-[N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidamido]-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}propanoate
Chemical Structure Depiction of
ethyl 3-{2-[N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidamido]-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}propanoate
ethyl 3-{2-[N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidamido]-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}propanoate
Compound characteristics
| Compound ID: | Y021-1704 |
| Compound Name: | ethyl 3-{2-[N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidamido]-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl}propanoate |
| Molecular Weight: | 401.42 |
| Molecular Formula: | C19 H23 N5 O5 |
| Smiles: | CCOC(CCC1=C(C)N=C(NC(=N)Nc2ccc3c(c2)OCCO3)NC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2733 |
| logD: | 1.1559 |
| logSw: | -2.23 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 107.885 |
| InChI Key: | QBQWIMZLMPJTJE-UHFFFAOYSA-N |