Chemical ID: 6463695

CCN(CC)c1ccc(cc1)C=C2C(=O)N(C(=Nc3ccc(cc3)F)S2)c4ccc(cc4)F
Chemical ID:
6463695
Name [?]:
5-[(4-diethylaminophenyl)methylene]-3-(4-fluorophenyl)-2-(4-fluorophenyl)imino-thiazolidin-4-one
SMILES [?]:
CCN(CC)c1ccc(cc1)C=C2C(=O)N(C(=Nc3ccc(cc3)F)S2)c4ccc(cc4)F
InChi [?]:
InChI=1/C26H23F2N3OS/c1-3-30(4-2)22-13-5-18(6-14-22)17-24-25(32)31(23-15-9-20(28)10-16-23)26(33-24)29-21-11-7-19(27)8-12-21/h5-17H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,8,10,21,23,29,31,20,24,7,11,28,32,12,9,22,30,19,6,27,13,14,17,25,33,18,3,16,15,26/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:33nCCNCCCCCCCCCCCONCNCCCCCCFSCCCCCCF/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;w12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s22;s13s17;s16;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H23F2N3OS
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:10.9458
Area:623.98
Solvation:-4.65368
Coulombic:-38.3429
Bond Count [?]
All:36
Single:24
Double:12
Rotors:6
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:463.543
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.18
LogP (Chemaxon):7.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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