N-(3,4-dimethylphenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
N-(3,4-dimethylphenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Compound characteristics
Compound ID: | 4061-0020 |
Compound Name: | N-(3,4-dimethylphenyl)-7-(3-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine |
Molecular Weight: | 381.43 |
Molecular Formula: | C20 H23 N5 O3 |
Smiles: | CC1CCCN(C1)c1cc(c(c2c1non2)[N+]([O-])=O)Nc1ccc(C)c(C)c1 |
Stereo: | RACEMIC MIXTURE |
logP: | 6.4724 |
logD: | 6.4724 |
logSw: | -5.7393 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 81.178 |
InChI Key: | CPMXZRIFIUEVFD-LBPRGKRZSA-N |