Chemical ID: 7174827

Cc1cc(n(n1)Cc2ccc(o2)c3nc4c5cnn(c5ncn4n3)c6ccccc6)C
Chemical ID:
7174827
Name [?]:
None
SMILES [?]:
Cc1cc(n(n1)Cc2ccc(o2)c3nc4c5cnn(c5ncn4n3)c6ccccc6)C
InChi [?]:
InChI=1/C22H18N8O/c1-14-10-15(2)28(26-14)12-17-8-9-19(31-17)20-25-22-18-11-24-30(16-6-4-3-5-7-16)21(18)23-13-29(22)27-20/h3-11,13H,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,28,27,29,26,30,9,10,3,17,7,22,2,4,25,8,16,11,13,20,15,21,18,14,6,24,5,23,19,12/E:(4,5)(6,7)/rA:31nCCCCNNCCCCCOCNCCCNNCNCNNCCCCCCC/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s9;d10;s8s11;s11;s13;d14;s15;s16;d17;s18;d16s19;s20;d21;s15s22;d13s23;s19;s25;d26;s27;d28;d25s29;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18N8O
All Atoms:49
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.9792
Area:640.531
Solvation:-4.03409
Coulombic:-34.4694
Bond Count [?]
All:36
Single:24
Double:12
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:410.432
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.83
LogP (Chemaxon):2.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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