N-[(4-methyloxan-4-yl)methyl]isoquinoline-1-carboxamide
Chemical Structure Depiction of
N-[(4-methyloxan-4-yl)methyl]isoquinoline-1-carboxamide
N-[(4-methyloxan-4-yl)methyl]isoquinoline-1-carboxamide
Compound characteristics
| Compound ID: | P970-0431 |
| Compound Name: | N-[(4-methyloxan-4-yl)methyl]isoquinoline-1-carboxamide |
| Molecular Weight: | 284.36 |
| Molecular Formula: | C17 H20 N2 O2 |
| Smiles: | CC1(CCOCC1)CNC(c1c2ccccc2ccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3963 |
| logD: | 2.3963 |
| logSw: | -2.8128 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.299 |
| InChI Key: | QAEQSVANSIACKF-UHFFFAOYSA-N |