Chemical ID: 6362721

CCCCCCCCCCC(=O)Nc1nc2ccc(cc2s1)OCC
Chemical ID:
6362721
Name [?]:
N-(6-ethoxybenzothiazol-2-yl)undecanamide
SMILES [?]:
CCCCCCCCCCC(=O)Nc1nc2ccc(cc2s1)OCC
InChi [?]:
InChI=1/C20H30N2O2S/c1-3-5-6-7-8-9-10-11-12-19(23)22-20-21-17-14-13-16(24-4-2)15-18(17)25-20/h13-15H,3-12H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,2,24,3,4,5,6,7,8,9,10,18,17,20,19,16,21,11,14,15,13,12,23,22/rA:25nCCCCCCCCCCCONCNCCCCCCSOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;s13;d14;s15;s16;d17;s18;d19;d16s20;s14s21;s19;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H30N2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.7409
Area:655.542
Solvation:-3.64762
Coulombic:-34.665
Bond Count [?]
All:26
Single:21
Double:5
Rotors:13
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:362.53
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.33
LogP (Chemaxon):6.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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