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Chemical ID: 7710410
Chemical ID:
7710410
Name [?]:
None
SMILES [?]:
CC1=C(C(n2c(nc(n2)c3ccc(cc3)O)N1)c4ccccc4)C(=O)Nc5cccnc5
InChi [?]:
InChI=1/C24H20N6O2/c1-15-20(23(32)27-18-8-5-13-25-14-18)21(16-6-3-2-4-7-16)30-24(26-15)28-22(29-30)17-9-11-19(31)12-10-17/h2-14,21,31H,1H3,(H,27,32)(H,26,28,29)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,29,19,23,28,11,15,12,14,30,32,2,18,10,27,13,3,4,8,24,6,31,17,26,7,9,5,16,25/E:(3,4)(6,7)(9,10)(11,12)/rA:32cCCCCNCNCNCCCCCCONCCCCCCCONCCCCNC/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s8;s10;d11;s12;d13;d10s14;s13;s2s6;s4;s18;d19;s20;d21;d18s22;s3;d24;s24;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20N6O2 |
All Atoms: | 52 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.6272 |
Area: | 631.58 |
Solvation: | -4.1623 |
Coulombic: | -67.5803 |
Bond Count [?]
All: | 36 |
Single: | 23 |
Double: | 13 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.46 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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