N-(2-{5-[4-(azepane-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)-N-methyl-N'-(3-methylphenyl)urea
Chemical Structure Depiction of
N-(2-{5-[4-(azepane-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)-N-methyl-N'-(3-methylphenyl)urea
N-(2-{5-[4-(azepane-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)-N-methyl-N'-(3-methylphenyl)urea
Compound characteristics
| Compound ID: | L453-0322 |
| Compound Name: | N-(2-{5-[4-(azepane-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl}ethyl)-N-methyl-N'-(3-methylphenyl)urea |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C26 H31 N5 O3 |
| Smiles: | Cc1cccc(c1)NC(N(C)CCc1nc(c2ccc(cc2)C(N2CCCCCC2)=O)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1938 |
| logD: | 4.1938 |
| logSw: | -4.1884 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.835 |
| InChI Key: | VAPDGPTYXFBAGM-UHFFFAOYSA-N |