Chemical ID: 7140105

CCc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3)OC)S2
Chemical ID:
7140105
Name [?]:
2-(4-ethylphenyl)imino-5-[(4-methoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3)OC)S2
InChi [?]:
InChI=1/C19H18N2O2S/c1-3-13-4-8-15(9-5-13)20-19-21-18(22)17(24-19)12-14-6-10-16(23-2)11-7-14/h4-12H,3H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,2,4,8,17,21,5,7,18,20,15,3,16,6,19,14,12,10,9,11,13,22,24/E:(4,5)(6,7)(8,9)(10,11)/rA:24nCCCCCCCCNCNCOCCCCCCCCOCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;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:10.4999
Area:547.248
Solvation:-3.18127
Coulombic:-37.1824
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:338.424
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.91
LogP (Chemaxon):4.96

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Descriptor Annotations

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