Chemical ID: 7731076

CCCCCNC(=O)C(=O)c1cn(c2c1cccc2)CC(=O)N3CCCC3
Chemical ID:
7731076
Name [?]:
None
SMILES [?]:
CCCCCNC(=O)C(=O)c1cn(c2c1cccc2)CC(=O)N3CCCC3
InChi [?]:
InChI=1/C21H27N3O3/c1-2-3-6-11-22-21(27)20(26)17-14-24(18-10-5-4-9-16(17)18)15-19(25)23-12-7-8-13-23/h4-5,9-10,14H,2-3,6-8,11-13,15H2,1H3,(H,22,27)
InChi Info:
AuxInfo=1/1/N:1,2,3,17,18,4,25,26,16,19,5,24,27,12,20,15,11,14,21,9,7,6,23,13,22,10,8/E:(7,8)(12,13)/rA:27nCCCCCNCOCOCCNCCCCCCCCONCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s9;d11;s12;s13;s11s14;d15;s16;d17;d14s18;s13;s20;d21;s21;s23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27N3O3
All Atoms:54
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:12.1506
Area:628.155
Solvation:-3.55324
Coulombic:-55.8297
Bond Count [?]
All:29
Single:22
Double:7
Rotors:10
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.16
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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