Chemical ID: 6266888

CCOc1ccc(cc1)c2c(sc(n2)NC(=O)c3c(cccc3OC)OC)C
Chemical ID:
6266888
Name [?]:
N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]-2,6-dimethoxy-benzamide
SMILES [?]:
CCOc1ccc(cc1)c2c(sc(n2)NC(=O)c3c(cccc3OC)OC)C
InChi [?]:
InChI=1/C21H22N2O4S/c1-5-27-15-11-9-14(10-12-15)19-13(2)28-21(22-19)23-20(24)18-16(25-3)7-6-8-17(18)26-4/h6-12H,5H2,1-4H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,28,25,27,2,21,22,20,6,8,5,9,11,7,4,23,19,18,10,16,13,14,15,17,24,26,3,12/E:(3,4)(7,8)(9,10)(11,12)(16,17)(25,26)/rA:28nCCOCCCCCCCCSCNNCOCCCCCCOCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;s24;s19;s26;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.14805
Area:622.451
Solvation:-6.41322
Coulombic:-49.2347
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:398.476
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.85
LogP (Chemaxon):4.03

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Descriptor Annotations

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