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Chemical ID: 7679039

COc1cccc(c1)n2c3c(c(=O)n(cn3)CC(=O)NCc4ccccc4Cl)nn2

Chemical ID:

7679039

Name [?]:

None

SMILES [?]:

COc1cccc(c1)n2c3c(c(=O)n(cn3)CC(=O)NCc4ccccc4Cl)nn2

InChi [?]:

InChI=1/C20H17ClN6O3/c1-30-15-7-4-6-14(9-15)27-19-18(24-25-27)20(29)26(12-23-19)11-17(28)22-10-13-5-2-3-8-16(13)21/h2-9,12H,10-11H2,1H3,(H,22,28)

InChi Info:

AuxInfo=1/1/N:1,24,25,5,23,6,4,26,8,21,17,15,22,7,3,27,18,11,10,12,28,20,16,29,30,14,9,19,13,2/rA:30nCOCCCCCCNCCCONCNCCONCCCCCCCClNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d12;s12;s14;s10d15;s14;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s27;s11;s9d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₇ClN₆O₃
All Atoms:	47
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	10.7486
Area:	642.395
Solvation:	-5.31125
Coulombic:	-56.5539

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.89
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