N-[rel-(1R,2S)-2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}cyclopentyl]-6-methoxypyridine-3-carboxamide
Chemical Structure Depiction of
N-[rel-(1R,2S)-2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}cyclopentyl]-6-methoxypyridine-3-carboxamide
N-[rel-(1R,2S)-2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}cyclopentyl]-6-methoxypyridine-3-carboxamide
Compound characteristics
| Compound ID: | T987-3129 |
| Compound Name: | N-[rel-(1R,2S)-2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}cyclopentyl]-6-methoxypyridine-3-carboxamide |
| Molecular Weight: | 397.43 |
| Molecular Formula: | C21 H23 N3 O5 |
| Smiles: | COc1ccc(cn1)C(N[C@@H]1CCC[C@@H]1C(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8435 |
| logD: | 1.8435 |
| logSw: | -2.4158 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.244 |
| InChI Key: | XSOHRUNNQKTQAY-CVEARBPZSA-N |