Chemical ID: 7685475

Cc1c2c(cc(nc2n(n1)c3ccccc3)C4CC4)C(=O)Nc5cnn(c5)Cc6ccccc6
Chemical ID:
7685475
Name [?]:
None
SMILES [?]:
Cc1c2c(cc(nc2n(n1)c3ccccc3)C4CC4)C(=O)Nc5cnn(c5)Cc6ccccc6
InChi [?]:
InChI=1/C27H24N6O/c1-18-25-23(27(34)29-21-15-28-32(17-21)16-19-8-4-2-5-9-19)14-24(20-12-13-20)30-26(25)33(31-18)22-10-6-3-7-11-22/h2-11,14-15,17,20H,12-13,16H2,1H3,(H,29,34)
InChi Info:
AuxInfo=1/1/N:1,32,14,31,33,13,15,30,34,12,16,18,19,5,24,28,27,2,29,17,23,11,4,6,3,8,20,25,22,7,10,26,9,21/E:(4,5)(6,7)(8,9)(10,11)(12,13)/rA:34nCCCCCCNCNNCCCCCCCCCCONCCNNCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s9;s11;d12;s13;d14;d11s15;s6;s17;s17s18;s4;d20;s20;s22;s23;d24;s25;d23s26;s26;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H24N6O
All Atoms:58
Heavy Atoms:34
Chiral Atoms:None
ZAP Information [?]
Total:13.2349
Area:694.423
Solvation:-4.12566
Coulombic:-37.379
Bond Count [?]
All:39
Single:26
Double:13
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:5.24
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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