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Chemical ID: 6143815
Chemical ID:
6143815
Name [?]:
3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-5-[(4-methoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCOc1ccc(cc1)N=C2N(C(=O)C(=Cc3ccc(cc3)OC)S2)c4ccc(cc4)OCC
InChi [?]:
InChI=1/C27H26N2O4S/c1-4-32-23-14-8-20(9-15-23)28-27-29(21-10-16-24(17-11-21)33-5-2)26(30)25(34-27)18-19-6-12-22(31-3)13-7-19/h6-18H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,34,24,2,33,18,22,6,8,27,31,19,21,5,9,28,30,16,17,7,26,20,4,29,15,13,11,10,12,14,23,3,32,25/E:(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:34nCCOCCCCCCNCNCOCCCCCCCCOCSCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s20;s23;s11s15;s12;s26;d27;s28;d29;d26s30;s29;s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H26N2O4S |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2729 |
Area: | 649.207 |
Solvation: | -5.95723 |
Coulombic: | -46.2699 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 2 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 474.572 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.39 |
LogP (Chemaxon): | 6.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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