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Chemical ID: 6362721
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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