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Chemical ID: 7679292

COc1ccc(cc1)NC(=O)Cn2cnc3c(c2=O)nnn3c4ccc(cc4)OC

Chemical ID:

7679292

Name [?]:

None

SMILES [?]:

COc1ccc(cc1)NC(=O)Cn2cnc3c(c2=O)nnn3c4ccc(cc4)OC

InChi [?]:

InChI=1/C20H18N6O4/c1-29-15-7-3-13(4-8-15)22-17(27)11-25-12-21-19-18(20(25)28)23-24-26(19)14-5-9-16(30-2)10-6-14/h3-10,12H,11H2,1-2H3,(H,22,27)

InChi Info:

AuxInfo=1/1/N:1,30,5,7,24,28,4,8,25,27,12,14,6,23,3,26,10,17,16,18,15,9,20,21,13,22,11,19,2,29/E:(3,4)(5,6)(7,8)(9,10)/rA:30nCOCCCCCCNCOCNCNCCCONNNCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s15;d16;s13s17;d18;s17;d20;s16s21;s22;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₈N₆O₄
All Atoms:	48
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	9.03083
Area:	622.682
Solvation:	-6.53623
Coulombic:	-61.2249

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:	1.04
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