Chemical ID: 3891752

CCOc1ccc(cc1)CN(Cc2ccc(cc2)OC)S(=O)(=O)c3ccc(cc3)S(=O)(=O)NC4CC4
Chemical ID:
3891752
Name [?]:
N'-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
SMILES [?]:
CCOc1ccc(cc1)CN(Cc2ccc(cc2)OC)S(=O)(=O)c3ccc(cc3)S(=O)(=O)NC4CC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H30N2O6S2
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:11.453
Area:709.246
Solvation:-6.27814
Coulombic:-35.2336
Bond Count [?]
All:39
Single:26
Double:13
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:530.658
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.17
LogP (Chemaxon):3.84

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue