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Chemical ID: 4554149
Chemical ID:
4554149
Name [?]:
None
SMILES [?]:
c1cc2=NC34CCCCC3CC5=C(N4c2cc1=C(C(=O)N)C(=O)N)CCCC5
InChi [?]:
InChI=1/C22H26N4O2/c23-20(27)19(21(24)28)14-8-9-16-18(12-14)26-17-7-2-1-5-13(17)11-15-6-3-4-10-22(15,26)25-16/h8-9,12,15H,1-7,10-11H2,(H2,23,27)(H2,24,28)
InChi Info:
AuxInfo=1/1/N:27,26,8,7,28,9,25,1,2,6,11,16,12,17,10,3,13,15,18,19,22,5,21,24,4,14,20,23/E:(20,21)(23,24)(27,28)/gE:(1,2)/rA:28cCCCNCCCCCCCCCNCCCCCONCONCCCC/rB:d1;s2;d3;s4;s5;s6;s7;s8;s5s9;s10;s11;d12;s5s13;s3s14;d15;s1s16;d17;s18;d19;s19;s18;d22;s22;s13;s25;s26;s12s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H26N4O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.6867 |
Area: | 540.463 |
Solvation: | -2.82488 |
Coulombic: | -64.2284 |
Bond Count [?]
All: | 32 |
Single: | 25 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 378.468 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 1.71 |
LogP (Chemaxon): | 2.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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