Chemical ID: 5858327

CC(C)C(C(=O)NN=Cc1ccc(c(c1)Br)OCC(=O)O)NC(=O)c2cccc(c2)Cl
Chemical ID:
5858327
Name [?]:
2-[2-bromo-4-[[2-(3-chlorobenzoyl)amino-3-methyl-butanoyl]aminoiminomethyl]phenoxy]acetic acid
SMILES [?]:
CC(C)C(C(=O)NN=Cc1ccc(c(c1)Br)OCC(=O)O)NC(=O)c2cccc(c2)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21BrClN3O5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.036
Area:706.885
Solvation:-6.63612
Coulombic:-75.6526
Bond Count [?]
All:32
Single:22
Double:10
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:510.765
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:5.06
LogP (Chemaxon):4.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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