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Chemical ID: 7721217

Cc1c(nnn1c2ccc(cc2)OC)C(=O)Nc3ccc(cc3)Oc4ccccc4

Chemical ID:

7721217

Name [?]:

None

SMILES [?]:

Cc1c(nnn1c2ccc(cc2)OC)C(=O)Nc3ccc(cc3)Oc4ccccc4

InChi [?]:

InChI=1/C23H20N4O3/c1-16-22(25-26-27(16)18-10-14-19(29-2)15-11-18)23(28)24-17-8-12-21(13-9-17)30-20-6-4-3-5-7-20/h3-15H,1-2H3,(H,24,28)

InChi Info:

AuxInfo=1/1/N:1,14,28,27,29,26,30,19,23,8,12,20,22,9,11,2,18,7,10,25,21,3,15,17,4,5,6,16,13,24/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:30nCCCNNNCCCCCCOCCONCCCCCCOCCCCCC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s3;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₀N₄O₃
All Atoms:	50
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	11.464
Area:	628.734
Solvation:	-4.25431
Coulombic:	-42.669

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.08
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