N-[3-(azepan-1-yl)butyl]-3-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)butyl]-3-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,2,4-oxadiazole-5-carboxamide
N-[3-(azepan-1-yl)butyl]-3-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | M027-0609 |
| Compound Name: | N-[3-(azepan-1-yl)butyl]-3-[2-(4-methylbenzene-1-sulfonyl)ethyl]-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 448.58 |
| Molecular Formula: | C22 H32 N4 O4 S |
| Smiles: | CC(CCNC(c1nc(CCS(c2ccc(C)cc2)(=O)=O)no1)=O)N1CCCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5327 |
| logD: | -0.3997 |
| logSw: | -2.955 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.169 |
| InChI Key: | BKXKRKLWYUBKEZ-SFHVURJKSA-N |