Chemical ID: 6455806

CCc1ccc(cc1)N=C2N(C(=O)C(=Cc3cc(c(c(c3)OC)OC)OC)S2)c4ccc(cc4)CC
Chemical ID:
6455806
Name [?]:
3-(4-ethylphenyl)-2-(4-ethylphenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N=C2N(C(=O)C(=Cc3cc(c(c(c3)OC)OC)OC)S2)c4ccc(cc4)CC
InChi [?]:
InChI=1/C29H30N2O4S/c1-6-19-8-12-22(13-9-19)30-29-31(23-14-10-20(7-2)11-15-23)28(32)26(36-29)18-21-16-24(33-3)27(35-5)25(17-21)34-4/h8-18H,6-7H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,36,23,27,25,2,35,4,8,31,33,5,7,30,34,21,17,15,3,32,16,6,29,20,18,14,19,12,10,9,11,13,22,26,24,28/E:(3,4)(8,9)(10,11)(12,13)(14,15)(16,17)(24,25)(33,34)/rA:36nCCCCCCCCNCNCOCCCCCCCCOCOCOCSCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;s18;s26;s10s14;s11;s29;d30;s31;d32;d29s33;s32;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H30N2O4S
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:10.6345
Area:684.285
Solvation:-6.4726
Coulombic:-47.7614
Bond Count [?]
All:39
Single:27
Double:12
Rotors:8
Chiral:2
Rigid Segments:9
Chemical Properties
Molecular Weight:502.626
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.94
LogP (Chemaxon):7.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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