Chemical ID: 5604629

c1cc2c(cc1C(=O)OC3CCCCC3=O)nc4n(c2=O)CCCCC4
Chemical ID:
5604629
Name [?]:
None
SMILES [?]:
c1cc2c(cc1C(=O)OC3CCCCC3=O)nc4n(c2=O)CCCCC4
InChi [?]:
InChI=1/C20H22N2O4/c23-16-6-3-4-7-17(16)26-20(25)13-9-10-14-15(12-13)21-18-8-2-1-5-11-22(18)19(14)24/h9-10,12,17H,1-8,11H2
InChi Info:
AuxInfo=1/0/N:24,25,13,12,23,14,11,26,1,2,22,5,6,3,4,15,10,18,20,7,17,19,16,21,8,9/rA:26cCCCCCCCOOCCCCCCONCNCOCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s13;s10s14;d15;s4;d17;s18;s3s19;d20;s19;s22;s23;s24;s18s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22N2O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:9.91731
Area:548.377
Solvation:-3.79212
Coulombic:-48.9375
Bond Count [?]
All:29
Single:22
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:354.4
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.15
LogP (Chemaxon):2.87

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Descriptor Annotations

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