Chemical ID: 6455704

CCN(CC)c1ccc(cc1)C=C2C(=O)N(C(=Nc3ccc(cc3)C)S2)c4ccc(cc4)C
Chemical ID:
6455704
Name [?]:
5-[(4-diethylaminophenyl)methylene]-3-(p-tolyl)-2-(p-tolylimino)thiazolidin-4-one
SMILES [?]:
CCN(CC)c1ccc(cc1)C=C2C(=O)N(C(=Nc3ccc(cc3)C)S2)c4ccc(cc4)C
InChi [?]:
InChI=1/C28H29N3OS/c1-5-30(6-2)24-17-11-22(12-18-24)19-26-27(32)31(25-15-9-21(4)10-16-25)28(33-26)29-23-13-7-20(3)8-14-23/h7-19H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,25,33,2,4,21,23,29,31,8,10,20,24,28,32,7,11,12,22,30,9,19,6,27,13,14,17,18,3,16,15,26/E:(1,2)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:33nCCNCCCCCCCCCCCONCNCCCCCCCSCCCCCCC/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:C28H29N3OS
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:13.5491
Area:646.042
Solvation:-2.60192
Coulombic:-32.6324
Bond Count [?]
All:36
Single:24
Double:12
Rotors:6
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:455.615
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.73
LogP (Chemaxon):8.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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