2-[{7-[(1,3-benzoxazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}(methyl)amino]ethan-1-ol
Chemical Structure Depiction of
2-[{7-[(1,3-benzoxazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}(methyl)amino]ethan-1-ol
2-[{7-[(1,3-benzoxazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}(methyl)amino]ethan-1-ol
Compound characteristics
Compound ID: | K784-6232 |
Compound Name: | 2-[{7-[(1,3-benzoxazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}(methyl)amino]ethan-1-ol |
Molecular Weight: | 387.37 |
Molecular Formula: | C16 H13 N5 O5 S |
Smiles: | CN(CCO)c1cc(c2c(c1[N+]([O-])=O)non2)Sc1nc2ccccc2o1 |
Stereo: | ACHIRAL |
logP: | 3.8136 |
logD: | 3.8136 |
logSw: | -4.16 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 105.829 |
InChI Key: | LYXGOBNRZBAFAX-UHFFFAOYSA-N |