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Chemical ID: 7674672

Cn1c2c(c(cc(n2)C3CC3)C(=O)Nc4ccn(n4)Cc5ccc(cc5)Cl)c(n1)C6CC6

Chemical ID:

7674672

Name [?]:

None

SMILES [?]:

Cn1c2c(c(cc(n2)C3CC3)C(=O)Nc4ccn(n4)Cc5ccc(cc5)Cl)c(n1)C6CC6

InChi [?]:

InChI=1/C24H23ClN6O/c1-30-23-21(22(29-30)16-6-7-16)18(12-19(26-23)15-4-5-15)24(32)27-20-10-11-31(28-20)13-14-2-8-17(25)9-3-14/h2-3,8-12,15-16H,4-7,13H2,1H3,(H,27,28,32)

InChi Info:

AuxInfo=1/1/N:1,22,26,10,11,31,32,23,25,16,17,6,20,21,9,30,24,5,7,15,4,28,3,12,27,8,14,19,29,2,18,13/E:(2,3)(4,5)(6,7)(8,9)/rA:32nCNCCCCCNCCCCONCCCNNCCCCCCCClCNCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s9s10;s5;d12;s12;s14;s15;d16;s17;d15s18;s18;s20;s21;d22;s23;d24;d21s25;s24;s4;s2d28;s28;s30;s30s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₃ClN₆O
All Atoms:	55
Heavy Atoms:	32
Chiral Atoms:	None

ZAP Information [?]

Total:	13.52
Area:	685.727
Solvation:	-3.62315
Coulombic:	-37.0145

Bond Count [?]

All:	37
Single:	27
Double:	10
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.5
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

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