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Chemical ID: 7218379

c1ccc(cc1)n2c3c(cn2)c4nc(nn4cn3)Cn5c6ccccc6c7c5CCCC7

Chemical ID:

7218379

Name [?]:

None

SMILES [?]:

c1ccc(cc1)n2c3c(cn2)c4nc(nn4cn3)Cn5c6ccccc6c7c5CCCC7

InChi [?]:

InChI=1/C25H21N7/c1-2-8-17(9-3-1)32-24-20(14-27-32)25-28-23(29-31(25)16-26-24)15-30-21-12-6-4-10-18(21)19-11-5-7-13-22(19)30/h1-4,6,8-10,12,14,16H,5,7,11,13,15H2

InChi Info:

AuxInfo=1/0/N:1,2,6,24,31,23,30,3,5,25,32,22,29,10,19,17,4,26,27,9,21,28,14,8,12,18,11,13,15,20,16,7/E:(2,3)(8,9)/rA:32nCCCCCCNCCCNCNCNNCNCNCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s9;d12;s13;d14;s12s15;s16;s8d17;s14;s19;s20;s21;d22;s23;d24;d21s25;s26;s20d27;s28;s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₁N₇
All Atoms:	53
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.7176
Area:	625.105
Solvation:	-2.91006
Coulombic:	-29.8173

Bond Count [?]

All:	38
Single:	26
Double:	12
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	419.481
H-Bond Donors:	0
H-Bond Acceptors:	0
XLogP:	4.44
LogP (Chemaxon):	6.06

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value