2-hydroxy-3-({2-methyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]propyl}amino)propyl butanoate
Chemical Structure Depiction of
2-hydroxy-3-({2-methyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]propyl}amino)propyl butanoate
2-hydroxy-3-({2-methyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]propyl}amino)propyl butanoate
Compound characteristics
| Compound ID: | V028-4334 |
| Compound Name: | 2-hydroxy-3-({2-methyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]propyl}amino)propyl butanoate |
| Molecular Weight: | 406.44 |
| Molecular Formula: | C19 H26 N4 O6 |
| Smiles: | CCCC(=O)OCC(CNC(C(C)C)c1nc(c2ccc(cc2)[N+]([O-])=O)no1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.461 |
| logD: | 3.4429 |
| logSw: | -3.5784 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.631 |
| InChI Key: | JHEQIGYNYLZIMP-UHFFFAOYSA-N |