2-({7-[(2-chlorophenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate
Chemical Structure Depiction of
2-({7-[(2-chlorophenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate
2-({7-[(2-chlorophenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate
Compound characteristics
Compound ID: | K786-1552 |
Compound Name: | 2-({7-[(2-chlorophenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate |
Molecular Weight: | 408.82 |
Molecular Formula: | C16 H13 Cl N4 O5 S |
Smiles: | CC(=O)OCCNc1cc(c2c(c1[N+]([O-])=O)non2)Sc1ccccc1[Cl] |
Stereo: | ACHIRAL |
logP: | 4.6183 |
logD: | 4.6183 |
logSw: | -4.7284 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 100.406 |
InChI Key: | VGELYKBQGUNSLN-UHFFFAOYSA-N |