N-[rel-(1R,2S)-2-(azepane-1-carbonyl)cyclopentyl]pyridine-4-carboxamide
Chemical Structure Depiction of
N-[rel-(1R,2S)-2-(azepane-1-carbonyl)cyclopentyl]pyridine-4-carboxamide
N-[rel-(1R,2S)-2-(azepane-1-carbonyl)cyclopentyl]pyridine-4-carboxamide
Compound characteristics
Compound ID: | T987-2448 |
Compound Name: | N-[rel-(1R,2S)-2-(azepane-1-carbonyl)cyclopentyl]pyridine-4-carboxamide |
Molecular Weight: | 315.41 |
Molecular Formula: | C18 H25 N3 O2 |
Smiles: | C1CCCN(CC1)C([C@H]1CCC[C@H]1NC(c1ccncc1)=O)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 1.4663 |
logD: | 1.4659 |
logSw: | -1.8364 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.541 |
InChI Key: | HPVJCKSUTAGNSB-CVEARBPZSA-N |