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Chemical ID: 6638518
Chemical ID:
6638518
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C=NNC(=O)c2c3c([nH]n2)-c4ccccc4CC3
InChi [?]:
InChI=1/C20H18N4O/c1-13-6-8-14(9-7-13)12-21-24-20(25)19-17-11-10-15-4-2-3-5-16(15)18(17)22-23-19/h2-9,12H,10-11H2,1H3,(H,22,23)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,19,3,7,4,6,24,25,8,2,5,23,18,14,15,13,11,9,16,17,10,12/E:(6,7)(8,9)/rA:25nCCCCCCCCNNCOCCCNNCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s11;s13;d14;s15;d13s16;s15;s18;d19;s20;d21;d18s22;s23;s14s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18N4O |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4723 |
Area: | 533.114 |
Solvation: | -2.85551 |
Coulombic: | -32.2939 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 330.383 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.1 |
LogP (Chemaxon): | 4.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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