Chemical ID: 7674860

Cc1ccccc1Cn2ccc(n2)NC(=O)c3cc(nc4c3c(nn4C)C)C
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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