Chemical ID: 7143001

CCc1ccccc1NC2=NC(=O)C(=Cc3ccc(c(c3)OC)OCC)S2
Chemical ID:
7143001
Name [?]:
5-[(4-ethoxy-3-methoxy-phenyl)methylene]-2-(2-ethylphenyl)amino-thiazol-4-one
SMILES [?]:
CCc1ccccc1NC2=NC(=O)C(=Cc3ccc(c(c3)OC)OCC)S2
InChi [?]:
InChI=1/C21H22N2O3S/c1-4-15-8-6-7-9-16(15)22-21-23-20(24)19(27-21)13-14-10-11-17(26-5-2)18(12-14)25-3/h6-13H,4-5H2,1-3H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,26,23,2,25,5,6,4,7,17,18,21,15,16,3,8,19,20,14,12,10,9,11,13,22,24,27/rA:27nCCCCCCCCNCNCOCCCCCCCCOCOCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;s25;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O3S
All Atoms:49
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:9.96677
Area:609.409
Solvation:-5.26847
Coulombic:-44.1286
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.03
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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