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Chemical ID: 5661844
Chemical ID:
5661844
Name [?]:
None
SMILES [?]:
c1cc2c(cc1C(=O)OCC(=O)N3CCCC3=O)nc4n(c2=O)CCCCC4
InChi [?]:
InChI=1/C20H21N3O5/c24-17-6-4-10-23(17)18(25)12-28-20(27)13-7-8-14-15(11-13)21-16-5-2-1-3-9-22(16)19(14)26/h7-8,11H,1-6,9-10,12H2
InChi Info:
AuxInfo=1/0/N:26,27,25,15,28,16,1,2,24,14,5,10,6,3,4,20,17,11,22,7,19,21,13,18,12,23,8,9/rA:28nCCCCCCCOOCCONCCCCONCNCOCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s11;s13;s14;s15;s13s16;d17;s4;d19;s20;s3s21;d22;s21;s24;s25;s26;s20s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21N3O5 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5361 |
Area: | 586.776 |
Solvation: | -4.13334 |
Coulombic: | -65.7438 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 383.398 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 0.87 |
LogP (Chemaxon): | 0.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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