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Chemical ID: 7729473
Chemical ID:
7729473
Name [?]:
None
SMILES [?]:
Cc1cc(cc(c1)n2c3c(c(=O)n(cn3)CC(=O)N(C)c4ccccc4)nn2)C
InChi [?]:
InChI=1/C21H20N6O2/c1-14-9-15(2)11-17(10-14)27-20-19(23-24-27)21(29)26(13-22-20)12-18(28)25(3)16-7-5-4-6-8-16/h4-11,13H,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,20,24,23,25,22,26,3,7,5,16,14,2,4,21,6,17,10,9,11,15,27,28,19,13,8,18,12/E:(1,2)(5,6)(7,8)(10,11)(14,15)/rA:29nCCCCCCCNCCCONCNCCONCCCCCCCNNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;s11;s13;s9d14;s13;s16;d17;s17;s19;s19;s21;d22;s23;d24;d21s25;s10;s8d27;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20N6O2 |
All Atoms: | 49 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.2177 |
Area: | 612.329 |
Solvation: | -4.09052 |
Coulombic: | -44.0208 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.22 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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