Chemical ID: 4450210

CC(C(=O)OC)N1C(=O)C(=Cc2c[nH]c3c2cc(cc3)Br)SC1=O
Chemical ID:
4450210
Name [?]:
methyl 2-[5-[(5-bromo-1H-indol-3-yl)methylene]-2,4-dioxo-thiazolidin-3-yl]propanoate
SMILES [?]:
CC(C(=O)OC)N1C(=O)C(=Cc2c[nH]c3c2cc(cc3)Br)SC1=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H13BrN2O4S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:9.94996
Area:537.828
Solvation:-3.49573
Coulombic:-57.1792
Bond Count [?]
All:26
Single:18
Double:8
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:409.255
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.67
LogP (Chemaxon):3.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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