Chemical ID: 7141175

CN(C)c1ccc(cc1)C=C2C(=O)NC(=Nc3cccc(c3)C(F)(F)F)S2
Chemical ID:
7141175
Name [?]:
5-[(4-dimethylaminophenyl)methylene]-2-[3-(trifluoromethyl)phenyl]imino-thiazolidin-4-one
SMILES [?]:
CN(C)c1ccc(cc1)C=C2C(=O)NC(=Nc3cccc(c3)C(F)(F)F)S2
InChi [?]:
InChI=1/C19H16F3N3OS/c1-25(2)15-8-6-12(7-9-15)10-16-17(26)24-18(27-16)23-14-5-3-4-13(11-14)19(20,21)22/h3-11H,1-2H3,(H,23,24,26)
InChi Info:
AuxInfo=1/1/N:1,3,19,20,18,6,8,5,9,10,22,7,21,17,4,11,12,15,23,24,25,26,16,14,2,13,27/E:(1,2)(6,7)(8,9)(20,21,22)/rA:27nCNCCCCCCCCCCONCNCCCCCCCFFFS/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s23;s23;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16F3N3OS
All Atoms:43
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.1546
Area:572.642
Solvation:-3.16142
Coulombic:-53.869
Bond Count [?]
All:29
Single:20
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:391.411
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.23
LogP (Chemaxon):5.5

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Descriptor Annotations

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