2-({4-nitro-7-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate
Chemical Structure Depiction of
2-({4-nitro-7-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate
2-({4-nitro-7-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate
Compound characteristics
| Compound ID: | K786-2841 |
| Compound Name: | 2-({4-nitro-7-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate |
| Molecular Weight: | 470.46 |
| Molecular Formula: | C20 H18 N6 O6 S |
| Smiles: | CCCC(=O)OCCNc1cc(c2c(c1[N+]([O-])=O)non2)Sc1nnc(c2ccccc2)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.692 |
| logD: | 4.692 |
| logSw: | -4.3875 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 129.807 |
| InChI Key: | DNICLMDAQYXREN-UHFFFAOYSA-N |