2-{[7-(benzylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethyl butanoate
Chemical Structure Depiction of
2-{[7-(benzylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethyl butanoate
2-{[7-(benzylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethyl butanoate
Compound characteristics
Compound ID: | K786-2848 |
Compound Name: | 2-{[7-(benzylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethyl butanoate |
Molecular Weight: | 416.45 |
Molecular Formula: | C19 H20 N4 O5 S |
Smiles: | CCCC(=O)OCCNc1cc(c2c(c1[N+]([O-])=O)non2)SCc1ccccc1 |
Stereo: | ACHIRAL |
logP: | 4.7491 |
logD: | 4.7491 |
logSw: | -4.5135 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 99.709 |
InChI Key: | GFLVJKOYNSXKDQ-UHFFFAOYSA-N |