Chemical ID: 5424171

c1cc2c(cc1C(=O)OCC(=O)N3CCCCCC3)nc4n(c2=O)CCCCC4
Chemical ID:
5424171
Name [?]:
None
SMILES [?]:
c1cc2c(cc1C(=O)OCC(=O)N3CCCCCC3)nc4n(c2=O)CCCCC4
InChi [?]:
InChI=1/C22H27N3O4/c26-20(24-11-5-1-2-6-12-24)15-29-22(28)16-9-10-17-18(14-16)23-19-8-4-3-7-13-25(19)21(17)27/h9-10,14H,1-8,11-13,15H2
InChi Info:
AuxInfo=1/0/N:16,17,27,28,15,18,26,29,1,2,14,19,25,5,10,6,3,4,21,11,23,7,20,13,22,12,24,8,9/E:(1,2)(5,6)(11,12)/rA:29nCCCCCCCOOCCONCCCCCCNCNCOCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s11;s13;s14;s15;s16;s17;s13s18;s4;d20;s21;s3s22;d23;s22;s25;s26;s27;s21s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27N3O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.4824
Area:610.544
Solvation:-3.78116
Coulombic:-58.0144
Bond Count [?]
All:32
Single:25
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:397.468
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.24
LogP (Chemaxon):1.94

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Descriptor Annotations

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