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Chemical ID: 7678883

Cc1ccc(c(c1)C)NC(=O)Cn2cnc3c(c2=O)nnn3c4cccc(c4)OC

Chemical ID:

7678883

Name [?]:

None

SMILES [?]:

Cc1ccc(c(c1)C)NC(=O)Cn2cnc3c(c2=O)nnn3c4cccc(c4)OC

InChi [?]:

InChI=1/C21H20N6O3/c1-13-7-8-17(14(2)9-13)23-18(28)11-26-12-22-20-19(21(26)29)24-25-27(20)15-5-4-6-16(10-15)30-3/h4-10,12H,11H2,1-3H3,(H,23,28)

InChi Info:

AuxInfo=1/1/N:1,8,30,25,24,26,3,4,7,28,12,14,2,6,23,27,5,10,17,16,18,15,9,20,21,13,22,11,19,29/rA:30nCCCCCCCCNCOCNCNCCCONNNCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;d14;s15;d16;s13s17;d18;s17;d20;s16s21;s22;s23;d24;s25;d26;d23s27;s27;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₀N₆O₃
All Atoms:	50
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	10.4647
Area:	630.662
Solvation:	-5.30182
Coulombic:	-54.7735

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.78
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