Chemical ID: 6266882

CCOc1ccc(cc1)c2c(sc(n2)NC(=O)CCc3ccccc3)C
Chemical ID:
6266882
Name [?]:
N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]-3-phenyl-propanamide
SMILES [?]:
CCOc1ccc(cc1)c2c(sc(n2)NC(=O)CCc3ccccc3)C
InChi [?]:
InChI=1/C21H22N2O2S/c1-3-25-18-12-10-17(11-13-18)20-15(2)26-21(23-20)22-19(24)14-9-16-7-5-4-6-8-16/h4-8,10-13H,3,9,14H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,26,2,23,22,24,21,25,19,6,8,5,9,18,11,20,7,4,16,10,13,15,14,17,3,12/E:(5,6)(7,8)(10,11)(12,13)/rA:26nCCOCCCCCCCCSCNNCOCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.4547
Area:607.739
Solvation:-3.73876
Coulombic:-35.259
Bond Count [?]
All:28
Single:19
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:366.478
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.0
LogP (Chemaxon):5.04

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