ethyl 2-[(2H-1,3-benzodioxole-5-carbonyl)imino]-5-oxo-1-[(oxolan-2-yl)methyl]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(2H-1,3-benzodioxole-5-carbonyl)imino]-5-oxo-1-[(oxolan-2-yl)methyl]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
ethyl 2-[(2H-1,3-benzodioxole-5-carbonyl)imino]-5-oxo-1-[(oxolan-2-yl)methyl]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Compound characteristics
| Compound ID: | C098-0659 |
| Compound Name: | ethyl 2-[(2H-1,3-benzodioxole-5-carbonyl)imino]-5-oxo-1-[(oxolan-2-yl)methyl]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate |
| Molecular Weight: | 516.51 |
| Molecular Formula: | C27 H24 N4 O7 |
| Smiles: | CCOC(C1=CC2=C(N=C3C=CC=CN3C2=O)N(CC2CCCO2)C/1=N/C(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9704 |
| logD: | 1.9704 |
| logSw: | -2.2998 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.464 |
| InChI Key: | INLMOWSVKAOTDA-QGZVFWFLSA-N |