N-[(oxan-4-yl)methyl]isoquinoline-1-carboxamide
Chemical Structure Depiction of
N-[(oxan-4-yl)methyl]isoquinoline-1-carboxamide
N-[(oxan-4-yl)methyl]isoquinoline-1-carboxamide
Compound characteristics
| Compound ID: | P970-0088 |
| Compound Name: | N-[(oxan-4-yl)methyl]isoquinoline-1-carboxamide |
| Molecular Weight: | 270.33 |
| Molecular Formula: | C16 H18 N2 O2 |
| Smiles: | C1COCCC1CNC(c1c2ccccc2ccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9828 |
| logD: | 1.9828 |
| logSw: | -2.5357 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.299 |
| InChI Key: | RPNQYFCKPQRBHU-UHFFFAOYSA-N |