N-[rel-(1R,2S)-2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}cyclopentyl]-4-methoxybenzamide
Chemical Structure Depiction of
N-[rel-(1R,2S)-2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}cyclopentyl]-4-methoxybenzamide
N-[rel-(1R,2S)-2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}cyclopentyl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | T987-2726 |
| Compound Name: | N-[rel-(1R,2S)-2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}cyclopentyl]-4-methoxybenzamide |
| Molecular Weight: | 396.44 |
| Molecular Formula: | C22 H24 N2 O5 |
| Smiles: | COc1ccc(cc1)C(N[C@@H]1CCC[C@@H]1C(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2581 |
| logD: | 2.2581 |
| logSw: | -2.8589 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.206 |
| InChI Key: | JSJGKSQKRABUCF-MSOLQXFVSA-N |