1-[9-(3-chlorophenyl)-1,7-dioxo-1,2,7,8,9,10-hexahydropyrimido[4,5-c]isoquinolin-3-yl]piperidine-4-carboxamide
Chemical Structure Depiction of
1-[9-(3-chlorophenyl)-1,7-dioxo-1,2,7,8,9,10-hexahydropyrimido[4,5-c]isoquinolin-3-yl]piperidine-4-carboxamide
1-[9-(3-chlorophenyl)-1,7-dioxo-1,2,7,8,9,10-hexahydropyrimido[4,5-c]isoquinolin-3-yl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | Y020-3730 |
| Compound Name: | 1-[9-(3-chlorophenyl)-1,7-dioxo-1,2,7,8,9,10-hexahydropyrimido[4,5-c]isoquinolin-3-yl]piperidine-4-carboxamide |
| Molecular Weight: | 451.91 |
| Molecular Formula: | C23 H22 Cl N5 O3 |
| Smiles: | C1CN(CCC1C(N)=O)C1NC(c2c3CC(CC(c3cnc2N=1)=O)c1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5395 |
| logD: | 2.5103 |
| logSw: | -3.7711 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.626 |
| InChI Key: | VVWPXLMLDULHMI-AWEZNQCLSA-N |