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Chemical ID: 7678624

CCCCc1ccc(cc1)NC(=O)Cn2cnc3c(c2=O)nnn3c4cccc(c4)Cl

Chemical ID:

7678624

Name [?]:

None

SMILES [?]:

CCCCc1ccc(cc1)NC(=O)Cn2cnc3c(c2=O)nnn3c4cccc(c4)Cl

InChi [?]:

InChI=1/C22H21ClN6O2/c1-2-3-5-15-8-10-17(11-9-15)25-19(30)13-28-14-24-21-20(22(28)31)26-27-29(21)18-7-4-6-16(23)12-18/h4,6-12,14H,2-3,5,13H2,1H3,(H,25,30)

InChi Info:

AuxInfo=1/1/N:1,2,3,27,4,28,26,6,10,7,9,30,14,16,5,29,8,25,12,19,18,20,31,17,11,22,23,15,24,13,21/E:(8,9)(10,11)/rA:31nCCCCCCCCCCNCOCNCNCCCONNNCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;d16;s17;d18;s15s19;d20;s19;d22;s18s23;s24;s25;d26;s27;d28;d25s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₁ClN₆O₂
All Atoms:	52
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	13.1888
Area:	685.744
Solvation:	-3.95476
Coulombic:	-49.6988

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.87
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