Chemical ID: 6844979

Cc1nnc(s1)N=C2N(C(=O)C(=Cc3ccc(cc3)C(=O)[O-])S2)CC=C
Chemical ID:
6844979
Name [?]:
4-[[3-allyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-4-oxo-thiazolidin-5-ylidene]methyl]benzoate
SMILES [?]:
Cc1nnc(s1)N=C2N(C(=O)C(=Cc3ccc(cc3)C(=O)[O-])S2)CC=C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H13N4O3S2-
All Atoms:39
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:-29.6302
Area:572.207
Solvation:-43.9354
Coulombic:-31.3966
Bond Count [?]
All:28
Single:18
Double:10
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:385.442
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.5
LogP (Chemaxon):3.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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