Chemical ID: 4544939

CC(C)CN1C(=O)C(=Cc2ccc(o2)Br)SC1=Nc3ccc(cc3)OC
Chemical ID:
4544939
Name [?]:
5-[(5-bromo-2-furyl)methylene]-3-isobutyl-2-(4-methoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
CC(C)CN1C(=O)C(=Cc2ccc(o2)Br)SC1=Nc3ccc(cc3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H19BrN2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.52686
Area:557.054
Solvation:-4.39949
Coulombic:-37.6033
Bond Count [?]
All:28
Single:20
Double:8
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:435.336
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.73
LogP (Chemaxon):4.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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