1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Chemical Structure Depiction of
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Compound characteristics
| Compound ID: | Y070-2417 |
| Compound Name: | 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile |
| Molecular Weight: | 415.45 |
| Molecular Formula: | C23 H21 N5 O3 |
| Smiles: | CC1=CC=CN2C1=NC1=C(C=C(C#N)C(=N)N1CCc1ccc(c(c1)OC)OC)C2=O |
| Stereo: | ACHIRAL |
| logP: | 1.8261 |
| logD: | -1.8403 |
| logSw: | -2.1285 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.585 |
| InChI Key: | AYQIATUPTJNREB-UHFFFAOYSA-N |