Chemical ID: 7141570

CCCCc1ccc(cc1)N2C(=O)C(=Cc3cccc(c3OC)OC)SC2=S
Chemical ID:
7141570
Name [?]:
3-(4-butylphenyl)-5-[(2,3-dimethoxyphenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCCCc1ccc(cc1)N2C(=O)C(=Cc3cccc(c3OC)OC)SC2=S
InChi [?]:
InChI=1/C22H23NO3S2/c1-4-5-7-15-10-12-17(13-11-15)23-21(24)19(28-22(23)27)14-16-8-6-9-18(25-2)20(16)26-3/h6,8-14H,4-5,7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,23,2,3,18,4,17,19,6,10,7,9,15,5,16,8,20,14,21,12,27,11,13,24,22,28,26/E:(10,11)(12,13)/rA:28nCCCCCCCCCCNCOCCCCCCCCOCOCSCS/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s20;s24;s14;s11s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23NO3S2
All Atoms:51
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:11.7298
Area:644.079
Solvation:-4.37222
Coulombic:-35.6292
Bond Count [?]
All:30
Single:21
Double:9
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.99
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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