N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-imino-5-oxo-1-(2-phenylethyl)-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]-2-imino-5-oxo-1-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-imino-5-oxo-1-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | Y070-2453 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-imino-5-oxo-1-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide |
| Molecular Weight: | 493.52 |
| Molecular Formula: | C28 H23 N5 O4 |
| Smiles: | C(CN1C2=C(C=C(C1=N)C(NCc1ccc3c(c1)OCO3)=O)C(N1C=CC=CC1=N2)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7677 |
| logD: | 2.7352 |
| logSw: | -3.2738 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.776 |
| InChI Key: | ZGBSXIGPKCUENM-UHFFFAOYSA-N |