3-({7-[(5-tert-butyl-2-methylphenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate
Chemical Structure Depiction of
3-({7-[(5-tert-butyl-2-methylphenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate
3-({7-[(5-tert-butyl-2-methylphenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate
Compound characteristics
Compound ID: | K786-2879 |
Compound Name: | 3-({7-[(5-tert-butyl-2-methylphenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate |
Molecular Weight: | 458.54 |
Molecular Formula: | C22 H26 N4 O5 S |
Smiles: | CC(=O)OCCCNc1cc(c2c(c1[N+]([O-])=O)non2)Sc1cc(ccc1C)C(C)(C)C |
Stereo: | ACHIRAL |
logP: | 6.6268 |
logD: | 6.6268 |
logSw: | -5.533 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 100.406 |
InChI Key: | NPVHRILXIKOWRP-UHFFFAOYSA-N |