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Chemical ID: 7704832
Chemical ID:
7704832
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)c2c(n3cccnc3n2)NC(=O)c4cccc(c4OC)OC
InChi [?]:
InChI=1/C22H20N4O3/c1-14-8-10-15(11-9-14)18-20(26-13-5-12-23-22(26)24-18)25-21(27)16-6-4-7-17(28-2)19(16)29-3/h4-13H,1-3H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,29,27,22,12,21,23,3,7,4,6,13,11,2,5,20,24,8,25,9,18,15,14,16,17,10,19,28,26/E:(8,9)(10,11)/rA:29nCCCCCCCCCNCCCNCNNCOCCCCCCOCOC/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;s24;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20N4O3 |
All Atoms: | 49 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.40745 |
Area: | 589.95 |
Solvation: | -6.34129 |
Coulombic: | -53.7827 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.71 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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