Chemical ID: 7044963

C=CC(=O)Nc1ccc2c(c1)OCCOCCOCCOCCOCCO2
Chemical ID:
7044963
Name [?]:
N-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-19,21,23-trien-20-yl)prop-2-enamide
SMILES [?]:
C=CC(=O)Nc1ccc2c(c1)OCCOCCOCCOCCOCCO2
InChi [?]:
InChI=1/C19H27NO7/c1-2-19(21)20-16-3-4-17-18(15-16)27-14-12-25-10-8-23-6-5-22-7-9-24-11-13-26-17/h2-4,15H,1,5-14H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,7,8,20,19,22,17,23,16,25,14,26,13,11,6,9,10,3,5,4,21,18,24,15,27,12/rA:27nCCCONCCCCCCOCCOCCOCCOCCOCCO/rB:d1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s10;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s9s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H27NO7
All Atoms:54
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:2.79033
Area:583.436
Solvation:-11.7956
Coulombic:-65.5504
Bond Count [?]
All:28
Single:23
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:381.42
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:0.43
LogP (Chemaxon):0.78

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Descriptor Annotations

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