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Chemical ID: 7674529

Cc1c2c(cc(nc2n(n1)C)C3CC3)C(=O)Nc4cnn(c4)Cc5c(cccc5Cl)Cl

Chemical ID:

7674529

Name [?]:

None

SMILES [?]:

Cc1c2c(cc(nc2n(n1)C)C3CC3)C(=O)Nc4cnn(c4)Cc5c(cccc5Cl)Cl

InChi [?]:

InChI=1/C22H20Cl2N6O/c1-12-20-15(8-19(13-6-7-13)27-21(20)29(2)28-12)22(31)26-14-9-25-30(10-14)11-16-17(23)4-3-5-18(16)24/h3-5,8-10,13H,6-7,11H2,1-2H3,(H,26,31)

InChi Info:

AuxInfo=1/1/N:1,11,27,26,28,13,14,5,19,22,23,2,12,18,4,24,25,29,6,3,8,15,31,30,20,17,7,10,9,21,16/E:(4,5)(6,7)(17,18)(23,24)/rA:31nCCCCCCNCNNCCCCCONCCNNCCCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s9;s6;s12;s12s13;s4;d15;s15;s17;s18;d19;s20;d18s21;s21;s23;s24;d25;s26;d27;d24s28;s29;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₀Cl₂N₆O
All Atoms:	51
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	12.6507
Area:	661.317
Solvation:	-3.88226
Coulombic:	-35.7535

Bond Count [?]

All:	35
Single:	25
Double:	10
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.92
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