2-({4-nitro-7-[(propan-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate
Chemical Structure Depiction of
2-({4-nitro-7-[(propan-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate
2-({4-nitro-7-[(propan-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate
Compound characteristics
Compound ID: | K786-2866 |
Compound Name: | 2-({4-nitro-7-[(propan-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate |
Molecular Weight: | 354.38 |
Molecular Formula: | C14 H18 N4 O5 S |
Smiles: | CCC(=O)OCCNc1cc(c2c(c1[N+]([O-])=O)non2)SC(C)C |
Stereo: | ACHIRAL |
logP: | 3.9693 |
logD: | 3.9693 |
logSw: | -4.205 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 99.981 |
InChI Key: | YUSCJOPHFRVMLT-UHFFFAOYSA-N |