Chemical ID: 5696902

c1cc2c(cc1C(=O)OCC(=O)NC3CC3)nc4n(c2=O)CCCCC4
Chemical ID:
5696902
Name [?]:
None
SMILES [?]:
c1cc2c(cc1C(=O)OCC(=O)NC3CC3)nc4n(c2=O)CCCCC4
InChi [?]:
InChI=1/C19H21N3O4/c23-17(20-13-6-7-13)11-26-19(25)12-5-8-14-15(10-12)21-16-4-2-1-3-9-22(16)18(14)24/h5,8,10,13H,1-4,6-7,9,11H2,(H,20,23)
InChi Info:
AuxInfo=1/1/N:24,25,23,26,1,15,16,2,22,5,10,6,14,3,4,18,11,20,7,13,17,19,12,21,8,9/E:(6,7)/rA:26nCCCCCCCOOCCONCCCNCNCOCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s11;s13;s14;s14s15;s4;d17;s18;s3s19;d20;s19;s22;s23;s24;s18s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21N3O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.5047
Area:575.162
Solvation:-3.87437
Coulombic:-61.9227
Bond Count [?]
All:29
Single:22
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:355.388
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.42
LogP (Chemaxon):0.97

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Descriptor Annotations

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