Chemical ID: 5031724

CCCCCCn1c(=O)c2cc3c(cc2c1=O)c(=O)n(c3=O)CCCCCC
Chemical ID:
5031724
Name [?]:
None
SMILES [?]:
CCCCCCn1c(=O)c2cc3c(cc2c1=O)c(=O)n(c3=O)CCCCCC
InChi [?]:
InChI=1/C22H28N2O4/c1-3-5-7-9-11-23-19(25)15-13-17-18(14-16(15)20(23)26)22(28)24(21(17)27)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,27,3,26,4,25,5,24,6,23,11,14,10,15,12,13,8,16,21,18,7,20,9,17,22,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16,17,18)(19,20,21,22)(23,24)(25,26,27,28)/rA:28nCCCCCCNCOCCCCCCCOCONCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s7s15;d16;s13;d18;s18;s12s20;d21;s20;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H28N2O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.8649
Area:662.514
Solvation:-3.69799
Coulombic:-53.1064
Bond Count [?]
All:30
Single:23
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:384.469
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.22
LogP (Chemaxon):3.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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