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Chemical ID: 7674850

Cn1c2c(c(cc(n2)C3CC3)C(=O)Nc4ccc(cc4)Cn5cc(cn5)Cl)c(n1)C6CC6

Chemical ID:

7674850

Name [?]:

None

SMILES [?]:

Cn1c2c(c(cc(n2)C3CC3)C(=O)Nc4ccc(cc4)Cn5cc(cn5)Cl)c(n1)C6CC6

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,17,19,10,11,31,32,16,20,6,25,21,23,18,9,30,24,15,5,7,4,28,3,12,27,26,14,8,29,2,22,13/E:(2,3)(4,5)(6,7)(8,9)/rA:32nCNCCCCCNCCCCONCCCCCCCNCCCNClCNCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s9s10;s5;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;s21;s22;d23;s24;s22d25;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:	13.1557
Area:	687.521
Solvation:	-4.03235
Coulombic:	-35.4522

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:	4.1
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