Chemical ID: 3891742

COc1ccc(cc1OC)CCN(Cc2ccccc2F)S(=O)(=O)c3ccc(cc3)S(=O)(=O)NC4CC4
Chemical ID:
3891742
Name [?]:
N'-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2-fluorophenyl)methyl]benzene-1,4-disulfonamide
SMILES [?]:
COc1ccc(cc1OC)CCN(Cc2ccccc2F)S(=O)(=O)c3ccc(cc3)S(=O)(=O)NC4CC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H29FN2O6S2
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:11.3898
Area:767.018
Solvation:-7.78563
Coulombic:-38.4587
Bond Count [?]
All:40
Single:27
Double:13
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:548.649
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.8
LogP (Chemaxon):3.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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