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Chemical ID: 7677959

CCOc1ccccc1NC(=O)Cn2cnc3c(c2=O)nnn3c4ccc(cc4)C

Chemical ID:

7677959

Name [?]:

None

SMILES [?]:

CCOc1ccccc1NC(=O)Cn2cnc3c(c2=O)nnn3c4ccc(cc4)C

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,30,2,7,6,8,5,26,28,25,29,13,15,27,24,9,4,11,18,17,19,16,10,21,22,14,23,12,20,3/E:(8,9)(10,11)/rA:30nCCOCCCCCCNCOCNCNCCCONNNCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;s14s18;d19;s18;d21;s17s22;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	11.0738
Area:	630.744
Solvation:	-4.69476
Coulombic:	-56.5057

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:	1.98
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