ethyl 2-[(2H-1,3-benzodioxole-5-carbonyl)imino]-1-butyl-5-oxo-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]-1-butyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
ethyl 2-[(2H-1,3-benzodioxole-5-carbonyl)imino]-1-butyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
Compound characteristics
| Compound ID: | C098-0245 |
| Compound Name: | ethyl 2-[(2H-1,3-benzodioxole-5-carbonyl)imino]-1-butyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate |
| Molecular Weight: | 488.5 |
| Molecular Formula: | C26 H24 N4 O6 |
| Smiles: | CCCCN1C2=C(C=C(/C1=N/C(c1ccc3c(c1)OCO3)=O)C(=O)OCC)C(N1C=CC=CC1=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1892 |
| logD: | 3.1891 |
| logSw: | -3.1432 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.06 |
| InChI Key: | YJAHYGRMLXCWPG-UHFFFAOYSA-N |