Chemical ID: 5858489

CC(C)C(C(=O)NN=Cc1cc(ccc1OCC#C)Br)NC(=O)c2cccc(c2)Cl
Chemical ID:
5858489
Name [?]:
N-[1-[(5-bromo-2-prop-2-ynoxy-phenyl)methyleneaminocarbamoyl]-2-methyl-propyl]-3-chloro-benzamide
SMILES [?]:
CC(C)C(C(=O)NN=Cc1cc(ccc1OCC#C)Br)NC(=O)c2cccc(c2)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H21BrClN3O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.3185
Area:695.22
Solvation:-5.062
Coulombic:-52.2925
Bond Count [?]
All:31
Single:21
Double:9
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:490.777
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.95
LogP (Chemaxon):4.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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