2-({4-nitro-7-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate
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 acetate
2-({4-nitro-7-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate
Compound characteristics
| Compound ID: | K786-1546 |
| Compound Name: | 2-({4-nitro-7-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate |
| Molecular Weight: | 442.41 |
| Molecular Formula: | C18 H14 N6 O6 S |
| Smiles: | CC(=O)OCCNc1cc(c2c(c1[N+]([O-])=O)non2)Sc1nnc(c2ccccc2)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.788 |
| logD: | 3.788 |
| logSw: | -4.0986 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 130.503 |
| InChI Key: | IXIPIICGMSKRIK-UHFFFAOYSA-N |