N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(furan-2-yl)methyl]-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(furan-2-yl)methyl]-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(furan-2-yl)methyl]-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | Y070-3205 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(furan-2-yl)methyl]-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide |
| Molecular Weight: | 483.48 |
| Molecular Formula: | C26 H21 N5 O5 |
| Smiles: | CC1=CC=CN2C1=NC1=C(C=C(C(=N)N1Cc1ccco1)C(NCc1ccc3c(c1)OCO3)=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 2.1924 |
| logD: | 2.0719 |
| logSw: | -2.7941 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.567 |
| InChI Key: | XQDZFECZAKNERM-UHFFFAOYSA-N |