methyl 1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Chemical Structure Depiction of
methyl 1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
methyl 1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Compound characteristics
| Compound ID: | Y070-2167 |
| Compound Name: | methyl 1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate |
| Molecular Weight: | 404.38 |
| Molecular Formula: | C21 H16 N4 O5 |
| Smiles: | COC(C1=CC2=C(N=C3C=CC=CN3C2=O)N(Cc2ccc3c(c2)OCO3)C1=N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8265 |
| logD: | 1.4421 |
| logSw: | -2.3854 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.558 |
| InChI Key: | CBQXAKRRGSWJLD-UHFFFAOYSA-N |