N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(morpholin-4-yl)isoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(morpholin-4-yl)isoquinoline-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(morpholin-4-yl)isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | G817-0344 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(morpholin-4-yl)isoquinoline-4-carboxamide |
| Molecular Weight: | 391.43 |
| Molecular Formula: | C22 H21 N3 O4 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1cnc(c2ccccc12)N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4471 |
| logD: | 3.4337 |
| logSw: | -3.5215 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.927 |
| InChI Key: | JPCAHLMNCQMZOO-UHFFFAOYSA-N |