Chemical ID: 4540452

c1ccc(c(c1)C=NNC(=O)CN(C2CCCCC2)S(=O)(=O)c3ccc(cc3)Br)C(=O)O
Chemical ID:
4540452
Name [?]:
2-[[2-[(4-bromophenyl)sulfonyl-cyclohexyl-amino]acetyl]aminoiminomethyl]benzoic acid
SMILES [?]:
c1ccc(c(c1)C=NNC(=O)CN(C2CCCCC2)S(=O)(=O)c3ccc(cc3)Br)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H24BrN3O5S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.9554
Area:670.188
Solvation:-4.79934
Coulombic:-55.0302
Bond Count [?]
All:34
Single:23
Double:11
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:522.413
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:5.09
LogP (Chemaxon):4.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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