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Chemical ID: 4490451

Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)Cc4ccc5c(c4)OCO5)c6ccc(cc6)F

Chemical ID:

4490451

Name [?]:

None

SMILES [?]:

Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)Cc4ccc5c(c4)OCO5)c6ccc(cc6)F

InChi [?]:

InChI=1/C27H20FNO5/c1-14-9-19-21(10-15(14)2)34-26-23(25(19)30)24(17-4-6-18(28)7-5-17)29(27(26)31)12-16-3-8-20-22(11-16)33-13-32-20/h3-11,24H,12-13H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,8,20,29,33,30,32,21,3,6,24,18,26,2,7,19,28,31,4,22,5,23,11,14,12,10,16,34,15,13,17,27,25,9/E:(4,5)(6,7)/rA:34cCCCCCCCCOCCCOCNCOCCCCCCCOCOCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;s18;s19;d20;s21;d22;d19s23;s23;s25;s22s26;s14;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₀FNO₅
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	9.63722
Area:	610.789
Solvation:	-5.63251
Coulombic:	-55.6111

Bond Count [?]

All:	39
Single:	27
Double:	12
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	457.45
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	4.92
LogP (Chemaxon):	5.19

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