Chemical ID: 7140192

COc1ccccc1N=C2NC(=O)C(=Cc3ccccc3OCC=C)S2
Chemical ID:
7140192
Name [?]:
5-[(2-allyloxyphenyl)methylene]-2-(2-methoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
COc1ccccc1N=C2NC(=O)C(=Cc3ccccc3OCC=C)S2
InChi [?]:
InChI=1/C20H18N2O3S/c1-3-12-25-16-10-6-4-8-14(16)13-18-19(23)22-20(26-18)21-15-9-5-7-11-17(15)24-2/h3-11,13H,1,12H2,2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:25,1,24,18,6,19,5,17,7,20,4,23,15,16,8,21,3,14,12,10,9,11,13,2,22,26/rA:26nCOCCCCCCNCNCOCCCCCCCCOCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s23;d24;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O3S
All Atoms:44
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.99779
Area:588.264
Solvation:-4.7088
Coulombic:-45.9664
Bond Count [?]
All:28
Single:18
Double:10
Rotors:6
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:366.435
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.54
LogP (Chemaxon):4.59

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