1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-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-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Compound characteristics
| Compound ID: | Y070-2232 |
| Compound Name: | 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile |
| Molecular Weight: | 401.42 |
| Molecular Formula: | C22 H19 N5 O3 |
| Smiles: | COc1ccc(CCN2C3=C(C=C(C#N)C2=N)C(N2C=CC=CC2=N3)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.5558 |
| logD: | -2.1106 |
| logSw: | -2.0469 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.564 |
| InChI Key: | LBHLZGUFAJAVRH-UHFFFAOYSA-N |