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Chemical ID: 5696902
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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