2-({7-[(2-tert-butyl-6-methylphenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate
Chemical Structure Depiction of
2-({7-[(2-tert-butyl-6-methylphenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate
2-({7-[(2-tert-butyl-6-methylphenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate
Compound characteristics
Compound ID: | K786-2842 |
Compound Name: | 2-({7-[(2-tert-butyl-6-methylphenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate |
Molecular Weight: | 472.56 |
Molecular Formula: | C23 H28 N4 O5 S |
Smiles: | CCCC(=O)OCCNc1cc(c2c(c1[N+]([O-])=O)non2)Sc1c(C)cccc1C(C)(C)C |
Stereo: | ACHIRAL |
logP: | 6.7411 |
logD: | 6.7411 |
logSw: | -5.6694 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 99.709 |
InChI Key: | FDVHVYASHBQLQG-UHFFFAOYSA-N |