Chemical ID: 4610523

CCc1nnc(s1)N=C2N(C(=O)C(=Cc3ccc4c(c3)OCO4)S2)CC=C
Chemical ID:
4610523
Name [?]:
3-allyl-5-(benzo[1,3]dioxol-5-ylmethylene)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)imino]thiazolidin-4-one
SMILES [?]:
CCc1nnc(s1)N=C2N(C(=O)C(=Cc3ccc4c(c3)OCO4)S2)CC=C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H16N4O3S2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.0355
Area:578.1
Solvation:-3.41705
Coulombic:-47.2219
Bond Count [?]
All:30
Single:21
Double:9
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:400.477
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.37
LogP (Chemaxon):3.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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