N-[2-(3-chlorophenyl)pyrimidin-5-yl]isoquinoline-1-carboxamide
Chemical Structure Depiction of
N-[2-(3-chlorophenyl)pyrimidin-5-yl]isoquinoline-1-carboxamide
N-[2-(3-chlorophenyl)pyrimidin-5-yl]isoquinoline-1-carboxamide
Compound characteristics
| Compound ID: | P212-1368 |
| Compound Name: | N-[2-(3-chlorophenyl)pyrimidin-5-yl]isoquinoline-1-carboxamide |
| Molecular Weight: | 360.8 |
| Molecular Formula: | C20 H13 Cl N4 O |
| Smiles: | c1ccc2c(c1)ccnc2C(Nc1cnc(c2cccc(c2)[Cl])nc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4377 |
| logD: | 4.4377 |
| logSw: | -4.5765 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.219 |
| InChI Key: | RBKNRGSYZUMWJM-UHFFFAOYSA-N |