2-(2H-1,3-benzodioxol-5-yl)-N-[rel-(1R,2R)-2-(benzyloxy)cyclopentyl]quinoline-4-carboxamide
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-N-[rel-(1R,2R)-2-(benzyloxy)cyclopentyl]quinoline-4-carboxamide
2-(2H-1,3-benzodioxol-5-yl)-N-[rel-(1R,2R)-2-(benzyloxy)cyclopentyl]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | V006-0129 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-N-[rel-(1R,2R)-2-(benzyloxy)cyclopentyl]quinoline-4-carboxamide |
| Molecular Weight: | 466.54 |
| Molecular Formula: | C29 H26 N2 O4 |
| Smiles: | C1C[C@H]([C@@H](C1)OCc1ccccc1)NC(c1cc(c2ccc3c(c2)OCO3)nc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.93 |
| logD: | 5.9291 |
| logSw: | -6.179 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.992 |
| InChI Key: | VEFHWVZAGIKELV-AHWVRZQESA-N |