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Chemical ID: 6475284
Chemical ID:
6475284
Name [?]:
2-methoxy-N-[8-(p-tolyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl]-benzamide
SMILES [?]:
Cc1ccc(cc1)c2c(n3ccccc3n2)NC(=O)c4ccccc4OC
InChi [?]:
InChI=1/C22H19N3O2/c1-15-10-12-16(13-11-15)20-21(25-14-6-5-9-19(25)23-20)24-22(26)17-7-3-4-8-18(17)27-2/h3-14H,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,27,22,23,13,12,21,24,14,3,7,4,6,11,2,5,20,25,15,8,9,18,16,17,10,19,26/E:(10,11)(12,13)/rA:27nCCCCCCCCCNCCCCCNNCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;d11;s12;d13;s10s14;s8d15;s9;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19N3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.24926 |
Area: | 559.995 |
Solvation: | -4.75062 |
Coulombic: | -41.149 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 357.405 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.76 |
LogP (Chemaxon): | 4.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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