N-[(2E)-3-cyano-10-methyl-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-[(2E)-3-cyano-10-methyl-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3,4,5-trimethoxybenzamide
N-[(2E)-3-cyano-10-methyl-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | IB08-7322 |
| Compound Name: | N-[(2E)-3-cyano-10-methyl-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 515.57 |
| Molecular Formula: | C28 H29 N5 O5 |
| Smiles: | CCCCCN1C2=C(C=C(C#N)\C1=N/C(c1cc(c(c(c1)OC)OC)OC)=O)C(N1C=CC=C(C)C1=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.58 |
| logD: | 3.54 |
| logSw: | -4.13 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 169.67 |
| InChI Key: | GEOIFDQPEZFFDP-UHFFFAOYSA-N |