Chemical ID: 4509903

COc1ccc(cc1)c2csc(n2)c3ccc(c(c3)OC)OC
Chemical ID:
4509903
Name [?]:
2-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-thiazole
SMILES [?]:
COc1ccc(cc1)c2csc(n2)c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C18H17NO3S/c1-20-14-7-4-12(5-8-14)15-11-23-18(19-15)13-6-9-16(21-2)17(10-13)22-3/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,21,5,7,15,4,8,16,19,10,6,14,3,9,17,18,12,13,2,22,20,11/E:(4,5)(7,8)/rA:23nCOCCCCCCCCSCNCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17NO3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.4424
Area:537.425
Solvation:-5.99322
Coulombic:-28.2004
Bond Count [?]
All:25
Single:17
Double:8
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:327.399
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.87
LogP (Chemaxon):4.02

Name Annotations

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Descriptor Annotations

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