Chemical ID: 7140088

CCc1ccccc1N=C2NC(=O)C(=Cc3ccccc3OC)S2
Chemical ID:
7140088
Name [?]:
2-(2-ethylphenyl)imino-5-[(2-methoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCc1ccccc1N=C2NC(=O)C(=Cc3ccccc3OC)S2
InChi [?]:
InChI=1/C19H18N2O2S/c1-3-13-8-4-6-10-15(13)20-19-21-18(22)17(24-19)12-14-9-5-7-11-16(14)23-2/h4-12H,3H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,2,5,18,6,19,4,17,7,20,15,3,16,8,21,14,12,10,9,11,13,22,24/rA:24nCCCCCCCCNCNCOCCCCCCCCOCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O2S
All Atoms:42
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.6071
Area:543.686
Solvation:-2.98503
Coulombic:-37.8067
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:3.7
LogP (Chemaxon):4.96

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