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Chemical ID: 7710290

Cc1cccc(c1)c2nc3n(n2)C(C(=C(N3)C)C(=O)Nc4cccnc4)c5ccc(cc5)Cl

Chemical ID:

7710290

Name [?]:

None

SMILES [?]:

Cc1cccc(c1)c2nc3n(n2)C(C(=C(N3)C)C(=O)Nc4cccnc4)c5ccc(cc5)Cl

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,17,4,23,3,5,22,28,32,29,31,24,7,26,2,15,27,6,30,21,14,13,8,18,10,33,25,16,20,9,12,11,19/E:(8,9)(10,11)/rA:33cCCCCCCCCNCNNCCCNCCONCCCCNCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d8s11;s11;s13;d14;s10s15;s15;s14;d18;s18;s20;s21;d22;s23;d24;d21s25;s13;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	13.6348
Area:	672.422
Solvation:	-3.17578
Coulombic:	-52.6602

Bond Count [?]

All:	37
Single:	24
Double:	13
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.93
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