Chemical ID: 7729473

Cc1cc(cc(c1)n2c3c(c(=O)n(cn3)CC(=O)N(C)c4ccccc4)nn2)C
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

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