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Chemical ID: 4578615

CCCCc1cc(=O)oc2c1cc3c(c2C)OCN(C3)CCc4ccc(cc4)F

Chemical ID:

4578615

Name [?]:

None

SMILES [?]:

CCCCc1cc(=O)oc2c1cc3c(c2C)OCN(C3)CCc4ccc(cc4)F

InChi [?]:

InChI=1/C24H26FNO3/c1-3-4-5-18-13-22(27)29-24-16(2)23-19(12-21(18)24)14-26(15-28-23)11-10-17-6-8-20(25)9-7-17/h6-9,12-13H,3-5,10-11,14-15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,16,2,3,4,24,28,25,27,22,21,12,6,20,18,15,23,5,13,26,11,7,14,10,29,19,8,17,9/E:(6,7)(8,9)/rA:29cCCCCCCCOOCCCCCCCOCNCCCCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s5s10;d11;s12;d13;d10s14;s15;s14;s17;s18;s13s19;s19;s21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₆FNO₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	1

ZAP Information [?]

Total:	10.8936
Area:	627.08
Solvation:	-4.78338
Coulombic:	-36.4154

Bond Count [?]

All:	32
Single:	24
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	395.467
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	5.58
LogP (Chemaxon):	6.23

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