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Chemical ID: 6463901
Chemical ID:
6463901
Name [?]:
3-(4-ethylphenyl)-2-(4-ethylphenyl)imino-5-[(2,4,6-trimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N=C2N(C(=O)C(=Cc3c(cc(cc3OC)OC)OC)S2)c4ccc(cc4)CC
InChi [?]:
InChI=1/C29H30N2O4S/c1-6-19-8-12-21(13-9-19)30-29-31(22-14-10-20(7-2)11-15-22)28(32)27(36-29)18-24-25(34-4)16-23(33-3)17-26(24)35-5/h8-18H,6-7H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,36,25,23,27,2,35,4,8,31,33,5,7,30,34,20,18,15,3,32,6,29,19,16,21,17,14,12,10,9,11,13,24,22,26,28/E:(4,5)(8,9)(10,11)(12,13)(14,15)(16,17)(25,26)(34,35)/rA:36nCCCCCCCCNCNCOCCCCCCCCOCOCOCSCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s19;s24;s17;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: | 11.5163 |
Area: | 675.769 |
Solvation: | -5.37794 |
Coulombic: | -46.57 |
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: | 6.35 |
LogP (Chemaxon): | 7.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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