Chemical ID: 6453074

CCc1ccc(cc1)N=C2N(C(=O)C(=Cc3ccc(cc3)C(C)C)S2)c4ccc(cc4)CC
Chemical ID:
6453074
Name [?]:
3-(4-ethylphenyl)-2-(4-ethylphenyl)imino-5-[(4-isopropylphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N=C2N(C(=O)C(=Cc3ccc(cc3)C(C)C)S2)c4ccc(cc4)CC
InChi [?]:
InChI=1/C29H30N2OS/c1-5-21-9-15-25(16-10-21)30-29-31(26-17-11-22(6-2)12-18-26)28(32)27(33-29)19-23-7-13-24(14-8-23)20(3)4/h7-20H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,33,23,24,2,32,17,21,4,8,28,30,18,20,5,7,27,31,15,22,3,29,16,19,6,26,14,12,10,9,11,13,25/E:(3,4)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:33nCCCCCCCCNCNCOCCCCCCCCCCCSCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;s22;s10s14;s11;s26;d27;s28;d29;d26s30;s29;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H30N2OS
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:14.2361
Area:654.0
Solvation:-2.1139
Coulombic:-28.2372
Bond Count [?]
All:36
Single:24
Double:12
Rotors:6
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:454.627
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:8.01
LogP (Chemaxon):9.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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