ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7676866

Chemical ID:

7676866

Name [?]:

None

SMILES [?]:

CCOC(=O)c1cnc2cc(c(cc2c1N3CCN(CC3)C)F)F

InChi [?]:

InChI=1/C17H19F2N3O2/c1-3-24-17(23)12-10-20-15-9-14(19)13(18)8-11(15)16(12)22-6-4-21(2)5-7-22/h8-10H,3-7H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,22,2,18,20,17,21,13,10,7,14,6,12,11,9,15,4,23,24,8,19,16,5,3/E:(4,5)(6,7)/rA:24nCCOCOCCNCCCCCCCNCCNCCCFF/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d12;d9s13;d6s14;s15;s16;s17;s18;s19;s16s20;s19;s12;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₉F₂N₃O₂
All Atoms:	43
Heavy Atoms:	24
Chiral Atoms:	None

ZAP Information [?]

Total:	8.04349
Area:	499.786
Solvation:	-4.45116
Coulombic:	-41.4262

Bond Count [?]

All:	26
Single:	20
Double:	6
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.66
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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