N-(3-ethylphenyl)-N'-[rel-(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)octahydrocyclopenta[c]pyrrol-5-yl]urea
Chemical Structure Depiction of
N-(3-ethylphenyl)-N'-[rel-(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)octahydrocyclopenta[c]pyrrol-5-yl]urea
N-(3-ethylphenyl)-N'-[rel-(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)octahydrocyclopenta[c]pyrrol-5-yl]urea
Compound characteristics
| Compound ID: | SB75-1159 |
| Compound Name: | N-(3-ethylphenyl)-N'-[rel-(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)octahydrocyclopenta[c]pyrrol-5-yl]urea |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C23 H31 N5 O3 |
| Smiles: | [H][C@]12C[C@H](C[C@@]2(CN(C1)C(C(C)C)=O)c1nc(C)no1)NC(Nc1cccc(CC)c1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4669 |
| logD: | 3.4669 |
| logSw: | -3.5818 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.126 |
| InChI Key: | VHZBSXMIEAJOIM-BOCKYXSRSA-N |