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Chemical ID: 7674735

Cc1cc(c2c(nn(c2n1)c3ccccc3)C)C(=O)Nc4ccc(cc4)Cn5cc(cn5)Cl

Chemical ID:

7674735

Name [?]:

None

SMILES [?]:

Cc1cc(c2c(nn(c2n1)c3ccccc3)C)C(=O)Nc4ccc(cc4)Cn5cc(cn5)Cl

InChi [?]:

InChI=1/C25H21ClN6O/c1-16-12-22(23-17(2)30-32(24(23)28-16)21-6-4-3-5-7-21)25(33)29-20-10-8-18(9-11-20)14-31-15-19(26)13-27-31/h3-13,15H,14H2,1-2H3,(H,29,33)

InChi Info:

AuxInfo=1/1/N:1,17,14,13,15,12,16,23,25,22,26,3,31,27,29,2,6,24,30,21,11,4,5,9,18,33,32,10,20,7,28,8,19/E:(4,5)(6,7)(8,9)(10,11)/rA:33nCCCCCCNNCNCCCCCCCCONCCCCCCCNCCCNCl/rB:s1;s2;d3;s4;s5;d6;s7;d5s8;d2s9;s8;s11;d12;s13;d14;d11s15;s6;s4;d18;s18;s20;s21;d22;s23;d24;d21s25;s24;s27;s28;d29;s30;s28d31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₁ClN₆O
All Atoms:	54
Heavy Atoms:	33
Chiral Atoms:	None

ZAP Information [?]

Total:	13.2684
Area:	693.702
Solvation:	-4.07416
Coulombic:	-36.4886

Bond Count [?]

All:	37
Single:	24
Double:	13
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.25
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