Chemical ID: 6266867

CCOc1ccc(cc1)c2c(sc(n2)NC(=O)C(C)(C)C)C
Chemical ID:
6266867
Name [?]:
N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]-2,2-dimethyl-propanamide
SMILES [?]:
CCOc1ccc(cc1)c2c(sc(n2)NC(=O)C(C)(C)C)C
InChi [?]:
InChI=1/C17H22N2O2S/c1-6-21-13-9-7-12(8-10-13)14-11(2)22-16(18-14)19-15(20)17(3,4)5/h7-10H,6H2,1-5H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,19,20,21,2,6,8,5,9,11,7,4,10,16,13,18,14,15,17,3,12/E:(3,4,5)(7,8)(9,10)/rA:22nCCOCCCCCCCCSCNNCOCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;s18;s18;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.0401
Area:533.244
Solvation:-3.29104
Coulombic:-34.7958
Bond Count [?]
All:23
Single:17
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:318.435
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.05
LogP (Chemaxon):4.66

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Descriptor Annotations

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