2-[{7-[(2-tert-butyl-6-methylphenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}(methyl)amino]ethan-1-ol
Chemical Structure Depiction of
2-[{7-[(2-tert-butyl-6-methylphenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}(methyl)amino]ethan-1-ol
2-[{7-[(2-tert-butyl-6-methylphenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}(methyl)amino]ethan-1-ol
Compound characteristics
| Compound ID: | K784-6235 |
| Compound Name: | 2-[{7-[(2-tert-butyl-6-methylphenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}(methyl)amino]ethan-1-ol |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C20 H24 N4 O4 S |
| Smiles: | Cc1cccc(c1Sc1cc(c(c2c1non2)[N+]([O-])=O)N(C)CCO)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.2006 |
| logD: | 5.2006 |
| logSw: | -5.1112 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.166 |
| InChI Key: | IKTXKPCDGQKKRP-UHFFFAOYSA-N |