Chemical ID: 7254751

COc1cccc(c1)c2nc(cs2)c3ccc(cc3OC)OC
Chemical ID:
7254751
Name [?]:
4-(2,4-dimethoxyphenyl)-2-(3-methoxyphenyl)-thiazole
SMILES [?]:
COc1cccc(c1)c2nc(cs2)c3ccc(cc3OC)OC
InChi [?]:
InChI=1/C18H17NO3S/c1-20-13-6-4-5-12(9-13)18-19-16(11-23-18)15-8-7-14(21-2)10-17(15)22-3/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,21,5,6,4,16,15,8,18,12,7,3,17,14,11,19,9,10,2,22,20,13/rA:23nCOCCCCCCCNCCSCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;d11;s9s12;s11;s14;d15;s16;d17;d14s18;s19;s20;s17;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17NO3S
All Atoms:40
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.66736
Area:523.57
Solvation:-5.42189
Coulombic:-27.5451
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:4.14
LogP (Chemaxon):4.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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