Chemical ID: 7729477

Cc1cc(cc(c1)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccc5c(c4)OCO5)nn2)C
Chemical ID:
7729477
Name [?]:
None
SMILES [?]:
Cc1cc(cc(c1)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccc5c(c4)OCO5)nn2)C
InChi [?]:
InChI=1/C21H18N6O4/c1-12-5-13(2)7-15(6-12)27-20-19(24-25-27)21(29)26(10-22-20)9-18(28)23-14-3-4-16-17(8-14)31-11-30-16/h3-8,10H,9,11H2,1-2H3,(H,23,28)
InChi Info:
AuxInfo=1/1/N:1,31,21,22,3,7,5,25,16,14,27,2,4,20,6,23,24,17,10,9,11,15,19,29,30,13,8,18,12,28,26/E:(1,2)(6,7)(12,13)/rA:31nCCCCCCCNCCCONCNCCONCCCCCCOCONNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;s11;s13;s9d14;s13;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s24;s26;s23s27;s10;s8d29;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18N6O4
All Atoms:49
Heavy Atoms:31
Chiral Atoms:None
ZAP Information [?]
Total:10.3053
Area:633.696
Solvation:-5.53707
Coulombic:-63.1897
Bond Count [?]
All:35
Single:24
Double:11
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.84
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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