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Chemical ID: 7678678

COC(=O)c1ccc(cc1)NC(=O)Cn2cnc3c(c2=O)nnn3c4cccc(c4)Cl

Chemical ID:

7678678

Name [?]:

None

SMILES [?]:

COC(=O)c1ccc(cc1)NC(=O)Cn2cnc3c(c2=O)nnn3c4cccc(c4)Cl

InChi [?]:

InChI=1/C20H15ClN6O4/c1-31-20(30)12-5-7-14(8-6-12)23-16(28)10-26-11-22-18-17(19(26)29)24-25-27(18)15-4-2-3-13(21)9-15/h2-9,11H,10H2,1H3,(H,23,28)

InChi Info:

AuxInfo=1/1/N:1,27,28,26,6,10,7,9,30,14,16,5,29,8,25,12,19,18,20,3,31,17,11,22,23,15,24,13,21,4,2/E:(5,6)(7,8)/rA:31nCOCOCCCCCCNCOCNCNCCCONNNCCCCCCCl/rB:s1;s2;d3;s3;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:	C₂₀H₁₅ClN₆O₄
All Atoms:	46
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	11.6319
Area:	660.914
Solvation:	-4.89095
Coulombic:	-67.7613

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.76
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