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Chemical ID: 6502183
Chemical ID:
6502183
Name [?]:
5-benzylidene-2-(4-methoxyphenyl)imino-3-phenyl-thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1)N=C2N(C(=O)C(=Cc3ccccc3)S2)c4ccccc4
InChi [?]:
InChI=1/C23H18N2O2S/c1-27-20-14-12-18(13-15-20)24-23-25(19-10-6-3-7-11-19)22(26)21(28-23)16-17-8-4-2-5-9-17/h2-16H,1H3
InChi Info:
AuxInfo=1/0/N:1,19,26,18,20,25,27,17,21,24,28,5,7,4,8,15,16,6,23,3,14,12,10,9,11,13,2,22/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:28nCOCCCCCCNCNCOCCCCCCCCSCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s10s14;s11;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18N2O2S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.97982 |
Area: | 538.585 |
Solvation: | -3.4848 |
Coulombic: | -33.706 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 386.467 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.71 |
LogP (Chemaxon): | 6.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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