N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-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-ethyl-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-ethyl-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | Y070-2880 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide |
| Molecular Weight: | 431.45 |
| Molecular Formula: | C23 H21 N5 O4 |
| Smiles: | CCN1C2=C(C=C(C1=N)C(NCc1ccc3c(c1)OCO3)=O)C(N1C=CC=C(C)C1=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6369 |
| logD: | 1.579 |
| logSw: | -2.2203 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.815 |
| InChI Key: | AGTQHSRRAHAFOQ-UHFFFAOYSA-N |