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Chemical ID: 7729420

c1ccc(cc1)CC2CCN(CC2)C(=O)Cn3cnc4c(c3=O)nnn4c5ccc(cc5)Cl

Chemical ID:

7729420

Name [?]:

None

SMILES [?]:

c1ccc(cc1)CC2CCN(CC2)C(=O)Cn3cnc4c(c3=O)nnn4c5ccc(cc5)Cl

InChi [?]:

InChI=1/C24H23ClN6O2/c25-19-6-8-20(9-7-19)31-23-22(27-28-31)24(33)30(16-26-23)15-21(32)29-12-10-18(11-13-29)14-17-4-2-1-3-5-17/h1-9,16,18H,10-15H2

InChi Info:

AuxInfo=1/0/N:1,2,6,3,5,29,31,28,32,9,13,10,12,7,16,18,4,8,30,27,14,21,20,22,33,19,24,25,11,17,26,15,23/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:33nCCCCCCCCCCNCCCOCNCNCCCONNNCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;s17;d18;s19;d20;s17s21;d22;s21;d24;s20s25;s26;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₃ClN₆O₂
All Atoms:	56
Heavy Atoms:	33
Chiral Atoms:	None

ZAP Information [?]

Total:	13.3205
Area:	694.081
Solvation:	-4.03157
Coulombic:	-46.0453

Bond Count [?]

All:	37
Single:	26
Double:	11
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.22
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