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Chemical ID: 7678900

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

Chemical ID:

7678900

Name [?]:

None

SMILES [?]:

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

InChi [?]:

InChI=1/C23H24N6O3/c1-3-4-6-16-9-11-17(12-10-16)25-20(30)14-28-15-24-22-21(23(28)31)26-27-29(22)18-7-5-8-19(13-18)32-2/h5,7-13,15H,3-4,6,14H2,1-2H3,(H,25,30)

InChi Info:

AuxInfo=1/1/N:1,32,2,3,27,4,26,28,6,10,7,9,30,14,16,5,8,25,29,12,19,18,20,17,11,22,23,15,24,13,21,31/E:(9,10)(11,12)/rA:32nCCCCCCCCCCNCOCNCNCCCONNNCCCCCCOC/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;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₄N₆O₃
All Atoms:	56
Heavy Atoms:	32
Chiral Atoms:	None

ZAP Information [?]

Total:	11.8557
Area:	688.157
Solvation:	-5.34823
Coulombic:	-55.8143

Bond Count [?]

All:	35
Single:	24
Double:	11
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.16
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