3-({4-nitro-7-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate
Chemical Structure Depiction of
3-({4-nitro-7-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate
3-({4-nitro-7-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate
Compound characteristics
Compound ID: | K786-2880 |
Compound Name: | 3-({4-nitro-7-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate |
Molecular Weight: | 456.43 |
Molecular Formula: | C19 H16 N6 O6 S |
Smiles: | CC(=O)OCCCNc1cc(c2c(c1[N+]([O-])=O)non2)Sc1nnc(c2ccccc2)o1 |
Stereo: | ACHIRAL |
logP: | 3.9109 |
logD: | 3.9109 |
logSw: | -4.1106 |
Hydrogen bond acceptors count: | 14 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 130.503 |
InChI Key: | AMICYBVXNVHOPD-UHFFFAOYSA-N |