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Chemical ID: 7674860
Chemical ID:
7674860
Name [?]:
None
SMILES [?]:
Cc1ccccc1Cn2ccc(n2)NC(=O)c3cc(nc4c3c(nn4C)C)C
InChi [?]:
InChI=1/C21H22N6O/c1-13-7-5-6-8-16(13)12-27-10-9-18(25-27)23-21(28)17-11-14(2)22-20-19(17)15(3)24-26(20)4/h5-11H,12H2,1-4H3,(H,23,25,28)
InChi Info:
AuxInfo=1/1/N:1,28,27,26,4,5,3,6,11,10,18,8,2,19,23,7,17,12,22,21,15,20,14,24,13,25,9,16/rA:28nCCCCCCCCNCCCNNCOCCCNCCCNNCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s11;s9d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d23;s21s24;s25;s23;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22N6O |
All Atoms: | 50 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.0694 |
Area: | 590.945 |
Solvation: | -3.70423 |
Coulombic: | -35.6003 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.91 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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