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Chemical ID: 7680266

COc1ccc(cc1OC)C2c3c(=O)[nH]c(nc3NC4=C2C(=O)c5c4cccc5)N

Chemical ID:

7680266

Name [?]:

None

SMILES [?]:

COc1ccc(cc1OC)C2c3c(=O)[nH]c(nc3NC4=C2C(=O)c5c4cccc5)N

InChi [?]:

InChI=1/C22H18N4O4/c1-29-13-8-7-10(9-14(13)30-2)15-16-18(11-5-3-4-6-12(11)19(16)27)24-20-17(15)21(28)26-22(23)25-20/h3-9,15H,1-2H3,(H4,23,24,25,26,28)

InChi Info:

AuxInfo=1/1/N:1,10,27,28,26,29,5,4,7,6,25,24,3,8,11,21,12,20,22,18,13,16,30,19,17,15,23,14,2,9/rA:30cCOCCCCCCOCCCCONCNCNCCCOCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;d13;s13;s15;d16;d12s17;s18;s19;s11d20;s21;d22;s22;s20s24;d25;s26;d27;d24s28;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₈N₄O₄
All Atoms:	48
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	7.46955
Area:	570.186
Solvation:	-6.7851
Coulombic:	-75.6601

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	3
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.71
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