N-(3-methylphenyl)-2-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]azepane-1-carboxamide
Chemical Structure Depiction of
N-(3-methylphenyl)-2-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]azepane-1-carboxamide
N-(3-methylphenyl)-2-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]azepane-1-carboxamide
Compound characteristics
| Compound ID: | S545-0678 |
| Compound Name: | N-(3-methylphenyl)-2-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]azepane-1-carboxamide |
| Molecular Weight: | 377.44 |
| Molecular Formula: | C21 H23 N5 O2 |
| Smiles: | Cc1cccc(c1)NC(N1CCCCCC1c1nc(c2ccncc2)no1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3226 |
| logD: | 4.3225 |
| logSw: | -4.1524 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.566 |
| InChI Key: | ZXHQGRWCAPHJNZ-SFHVURJKSA-N |