Chemical ID: 7142105

Cc1ccc(c(c1)N2C(=O)C(=Cc3ccc(cc3)C(=O)OC)SC2=S)C
Chemical ID:
7142105
Name [?]:
methyl 4-[[3-(2,5-dimethylphenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]benzoate
SMILES [?]:
Cc1ccc(c(c1)N2C(=O)C(=Cc3ccc(cc3)C(=O)OC)SC2=S)C
InChi [?]:
InChI=1/C20H17NO3S2/c1-12-4-5-13(2)16(10-12)21-18(22)17(26-20(21)25)11-14-6-8-15(9-7-14)19(23)24-3/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,22,3,4,14,18,15,17,7,12,2,5,13,16,6,11,9,19,24,8,10,20,21,25,23/E:(6,7)(8,9)/rA:26nCCCCCCCNCOCCCCCCCCCOOCSCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s11;s8s23;d24;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17NO3S2
All Atoms:43
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:12.2197
Area:589.818
Solvation:-2.52573
Coulombic:-39.9984
Bond Count [?]
All:28
Single:18
Double:10
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.99
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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