Chemical ID: 6266977

CCOc1ccc(cc1)C(=O)Nc2nc(c(s2)C)c3ccc(cc3)OC
Chemical ID:
6266977
Name [?]:
4-ethoxy-N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-benzamide
SMILES [?]:
CCOc1ccc(cc1)C(=O)Nc2nc(c(s2)C)c3ccc(cc3)OC
InChi [?]:
InChI=1/C20H20N2O3S/c1-4-25-17-11-7-15(8-12-17)19(23)22-20-21-18(13(2)26-20)14-5-9-16(24-3)10-6-14/h5-12H,4H2,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,18,26,2,20,24,6,8,21,23,5,9,16,19,7,22,4,15,10,13,14,12,11,25,3,17/E:(5,6)(7,8)(9,10)(11,12)/rA:26nCCOCCCCCCCONCNCCSCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;d13;s14;d15;s13s16;s16;s15;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.222
Area:596.784
Solvation:-4.69757
Coulombic:-42.782
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:368.45
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.93
LogP (Chemaxon):4.28

Name Annotations

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Descriptor Annotations

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