Chemical ID: 7140877

Cc1ccc(cc1C)N=C2NC(=O)C(=Cc3ccc(cc3)C(=O)OC)S2
Chemical ID:
7140877
Name [?]:
methyl 4-[[2-(3,4-dimethylphenyl)imino-4-oxo-thiazolidin-5-ylidene]methyl]benzoate
SMILES [?]:
Cc1ccc(cc1C)N=C2NC(=O)C(=Cc3ccc(cc3)C(=O)OC)S2
InChi [?]:
InChI=1/C20H18N2O3S/c1-12-4-9-16(10-13(12)2)21-20-22-18(23)17(26-20)11-14-5-7-15(8-6-14)19(24)25-3/h4-11H,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,8,25,3,17,21,18,20,4,6,15,2,7,16,19,5,14,12,22,10,9,11,13,23,24,26/E:(5,6)(7,8)/rA:26nCCCCCCCCNCNCOCCCCCCCCCOOCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;s24;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O3S
All Atoms:44
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.9109
Area:586.962
Solvation:-2.76318
Coulombic:-49.3723
Bond Count [?]
All:28
Single:18
Double:10
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:366.435
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.9
LogP (Chemaxon):4.83

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Descriptor Annotations

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