Chemical ID: 4622310

CC(=O)N1c2ccccc2C(=C3C(=O)NC(=Nc4cccc(c4)C(F)(F)F)S3)C1=O
Chemical ID:
4622310
Name [?]:
1-acetyl-3-[4-oxo-2-[3-(trifluoromethyl)phenyl]imino-thiazolidin-5-ylidene]-indolin-2-one
SMILES [?]:
CC(=O)N1c2ccccc2C(=C3C(=O)NC(=Nc4cccc(c4)C(F)(F)F)S3)C1=O
InChi [?]:
InChI=1/C20H12F3N3O3S/c1-10(27)26-14-8-3-2-7-13(14)15(18(26)29)16-17(28)25-19(30-16)24-12-6-4-5-11(9-12)20(21,22)23/h2-9H,1H3,(H,24,25,28)
InChi Info:
AuxInfo=1/1/N:1,8,7,20,21,19,9,6,23,2,22,18,10,5,11,12,13,29,16,24,25,26,27,17,15,4,3,14,30,28/E:(21,22,23)/rA:30nCCONCCCCCCCCCONCNCCCCCCCFFFSCO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s24;s24;s12s16;s4s11;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H12F3N3O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.0157
Area:584.913
Solvation:-3.60715
Coulombic:-71.1751
Bond Count [?]
All:33
Single:22
Double:11
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:431.389
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.9
LogP (Chemaxon):3.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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