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Chemical ID: 7434254
Chemical ID:
7434254
Name [?]:
3-allyl-5-benzylidene-2-(4-ethoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
CCOc1ccc(cc1)N=C2N(C(=O)C(=Cc3ccccc3)S2)CC=C
InChi [?]:
InChI=1/C21H20N2O2S/c1-3-14-23-20(24)19(15-16-8-6-5-7-9-16)26-21(23)22-17-10-12-18(13-11-17)25-4-2/h3,5-13,15H,1,4,14H2,2H3
InChi Info:
AuxInfo=1/0/N:26,1,25,2,20,19,21,18,22,6,8,5,9,24,16,17,7,4,15,13,11,10,12,14,3,23/E:(6,7)(8,9)(10,11)(12,13)/rA:26nCCOCCCCCCNCNCOCCCCCCCCSCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s11s15;s12;s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20N2O2S |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2635 |
Area: | 574.294 |
Solvation: | -3.09386 |
Coulombic: | -35.0102 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 364.462 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.19 |
LogP (Chemaxon): | 5.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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