1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Chemical Structure Depiction of
1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Compound characteristics
| Compound ID: | Y070-2163 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile |
| Molecular Weight: | 371.35 |
| Molecular Formula: | C20 H13 N5 O3 |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C2=C(C=C(C#N)C1=N)C(N1C=CC=CC1=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8108 |
| logD: | -2.1555 |
| logSw: | -2.4166 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.441 |
| InChI Key: | UOZXJPOGLBHJFH-UHFFFAOYSA-N |