Chemical ID: 5298892

CC(=Cc1ccccc1)C=C2C(=O)NC(=Nc3ccc(c(c3)C(F)(F)F)Cl)S2
Chemical ID:
5298892
Name [?]:
2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-(2-methyl-3-phenyl-prop-2-enylidene)-thiazolidin-4-one
SMILES [?]:
CC(=Cc1ccccc1)C=C2C(=O)NC(=Nc3ccc(c(c3)C(F)(F)F)Cl)S2
InChi [?]:
InChI=1/C20H14ClF3N2OS/c1-12(9-13-5-3-2-4-6-13)10-17-18(27)26-19(28-17)25-14-7-8-16(21)15(11-14)20(22,23)24/h2-11H,1H3,(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,7,6,8,5,9,18,19,3,10,22,2,4,17,21,20,11,12,15,23,27,24,25,26,16,14,13,28/E:(3,4)(5,6)(22,23,24)/rA:28nCCCCCCCCCCCCONCNCCCCCCCFFFClS/rB:s1;w2;s3;s4;d5;s6;d7;d4s8;s2;w10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s23;s23;s20;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H14ClF3N2OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.5775
Area:589.59
Solvation:-3.16227
Coulombic:-48.0033
Bond Count [?]
All:30
Single:20
Double:10
Rotors:4
Chiral:3
Rigid Segments:5
Chemical Properties
Molecular Weight:422.852
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.48
LogP (Chemaxon):6.44

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Descriptor Annotations

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