N-benzyl-4-({2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-dihydroquinazolin-3(2H)-yl}methyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-benzyl-4-({2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-dihydroquinazolin-3(2H)-yl}methyl)cyclohexane-1-carboxamide
N-benzyl-4-({2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-dihydroquinazolin-3(2H)-yl}methyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C260-2561 |
| Compound Name: | N-benzyl-4-({2,4-dioxo-1-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,4-dihydroquinazolin-3(2H)-yl}methyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 549.63 |
| Molecular Formula: | C32 H31 N5 O4 |
| Smiles: | C1CC(CCC1CN1C(c2ccccc2N(CC2=CC(N3C=CC=CC3=N2)=O)C1=O)=O)C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3361 |
| logD: | 3.3361 |
| logSw: | -3.8567 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.859 |
| InChI Key: | JCJLORUFZXLBNT-UHFFFAOYSA-N |