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Chemical ID: 7675236

c1ccc(cc1)n2c3c(c(cc(n3)C4CC4)C(=O)Nc5cnn(c5)Cc6cccc7c6cccc7)c(n2)C8CC8

Chemical ID:

7675236

Name [?]:

None

SMILES [?]:

c1ccc(cc1)n2c3c(c(cc(n3)C4CC4)C(=O)Nc5cnn(c5)Cc6cccc7c6cccc7)c(n2)C8CC8

InChi [?]:

InChI=1/C33H28N6O/c40-33(35-25-18-34-38(20-25)19-24-9-6-8-21-7-4-5-12-27(21)24)28-17-29(22-13-14-22)36-32-30(28)31(23-15-16-23)37-39(32)26-10-2-1-3-11-26/h1-12,17-18,20,22-23H,13-16,19H2,(H,35,40)

InChi Info:

AuxInfo=1/1/N:1,2,6,34,33,28,35,29,27,3,5,32,15,16,39,40,11,21,25,24,30,14,38,26,20,4,31,10,12,9,36,8,17,22,19,13,37,23,7,18/E:(2,3)(10,11)(13,14)(15,16)/rA:40nCCCCCCNCCCCCNCCCCONCCNNCCCCCCCCCCCCCNCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s12;s14;s14s15;s10;d17;s17;s19;s20;d21;s22;d20s23;s23;s25;s26;d27;s28;d29;d26s30;s31;d32;s33;s30d34;s9;s7d36;s36;s38;s38s39;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₃H₂₈N₆O
All Atoms:	68
Heavy Atoms:	40
Chiral Atoms:	None

ZAP Information [?]

Total:	15.1765
Area:	779.904
Solvation:	-4.3211
Coulombic:	-38.5208

Bond Count [?]

All:	47
Single:	32
Double:	15
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	6.71
LogP (Chemaxon):	None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value