Chemical ID: 7140110

Cc1ccc(cc1C)N=C2NC(=O)C(=Cc3ccc(cc3)OC)S2
Chemical ID:
7140110
Name [?]:
2-(3,4-dimethylphenyl)imino-5-[(4-methoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1C)N=C2NC(=O)C(=Cc3ccc(cc3)OC)S2
InChi [?]:
InChI=1/C19H18N2O2S/c1-12-4-7-15(10-13(12)2)20-19-21-18(22)17(24-19)11-14-5-8-16(23-3)9-6-14/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,23,3,17,21,4,18,20,6,15,2,7,16,5,19,14,12,10,9,11,13,22,24/E:(5,6)(8,9)/rA:24nCCCCCCCCNCNCOCCCCCCCCOCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O2S
All Atoms:42
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.3445
Area:541.929
Solvation:-3.2037
Coulombic:-36.6142
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:338.424
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.88
LogP (Chemaxon):5.03

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Descriptor Annotations

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