butyl 4-(3-cyano-10-methyl-2,5-dioxo-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-1(5H)-yl)benzoate
Chemical Structure Depiction of
butyl 4-(3-cyano-10-methyl-2,5-dioxo-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-1(5H)-yl)benzoate
butyl 4-(3-cyano-10-methyl-2,5-dioxo-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-1(5H)-yl)benzoate
Compound characteristics
| Compound ID: | D021-0039 |
| Compound Name: | butyl 4-(3-cyano-10-methyl-2,5-dioxo-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-1(5H)-yl)benzoate |
| Molecular Weight: | 428.45 |
| Molecular Formula: | C24 H20 N4 O4 |
| Smiles: | CCCCOC(c1ccc(cc1)N1C2=C(C=C(C#N)C1=O)C(N1C=CC=C(C)C1=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.337 |
| logD: | 3.337 |
| logSw: | -3.2971 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.087 |
| InChI Key: | ZDFVMLZMQMYOOE-UHFFFAOYSA-N |