Chemical ID: 7434254

CCOc1ccc(cc1)N=C2N(C(=O)C(=Cc3ccccc3)S2)CC=C
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

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