Chemical ID: 5437235

CCCCCCOc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccc(cc3)CC
Chemical ID:
5437235
Name [?]:
N-[5-[(4-ethylphenyl)methyl]thiazol-2-yl]-4-hexoxy-benzamide
SMILES [?]:
CCCCCCOc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccc(cc3)CC
InChi [?]:
InChI=1/C25H30N2O2S/c1-3-5-6-7-16-29-22-14-12-21(13-15-22)24(28)27-25-26-18-23(30-25)17-20-10-8-19(4-2)9-11-20/h8-15,18H,3-7,16-17H2,1-2H3,(H,26,27,28)
InChi Info:
AuxInfo=1/1/N:1,30,2,29,3,4,5,25,27,24,28,10,12,9,13,6,22,19,26,23,11,8,20,14,17,18,16,15,7,21/E:(8,9)(10,11)(12,13)(14,15)/rA:30nCCCCCCOCCCCCCCONCNCCSCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;d17;s18;d19;s17s20;s20;s22;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H30N2O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:14.0621
Area:725.67
Solvation:-4.07967
Coulombic:-36.911
Bond Count [?]
All:32
Single:23
Double:9
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:422.584
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.25
LogP (Chemaxon):6.66

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Descriptor Annotations

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