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Chemical ID: 7662949

CCOc1ccc(cc1OCC)c2[nH]c(c(n2)c3ccccc3)c4ccccc4

Chemical ID:

7662949

Name [?]:

None

SMILES [?]:

CCOc1ccc(cc1OCC)c2[nH]c(c(n2)c3ccccc3)c4ccccc4

InChi [?]:

InChI=1/C25H24N2O2/c1-3-28-21-16-15-20(17-22(21)29-4-2)25-26-23(18-11-7-5-8-12-18)24(27-25)19-13-9-6-10-14-19/h5-17H,3-4H2,1-2H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,12,2,11,21,27,20,22,26,28,19,23,25,29,6,5,8,18,24,7,4,9,16,15,13,17,14,3,10/E:(5,6)(7,8,9,10)(11,12,13,14)(18,19)(23,24)(26,27)/rA:29nCCOCCCCCCOCCCNCCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;s13;s14;d15;d13s16;s16;s18;d19;s20;d21;d18s22;s15;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₄N₂O₂
All Atoms:	53
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	11.0609
Area:	630.804
Solvation:	-4.70921
Coulombic:	-35.434

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	6.54
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