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Chemical ID: 7141175
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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