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Chemical ID: 7665998

c1cc(ccc1C2CC(=O)N(C3=C2C(=O)CCC3)c4c(c5c(s4)CCCCC5)C#N)F

Chemical ID:

7665998

Name [?]:

None

SMILES [?]:

c1cc(ccc1C2CC(=O)N(C3=C2C(=O)CCC3)c4c(c5c(s4)CCCCC5)C#N)F

InChi [?]:

InChI=1/C25H23FN2O2S/c26-16-11-9-15(10-12-16)18-13-23(30)28(20-6-4-7-21(29)24(18)20)25-19(14-27)17-5-2-1-3-8-22(17)31-25/h9-12,18H,1-8,13H2

InChi Info:

AuxInfo=1/0/N:26,27,25,17,28,18,16,24,1,5,2,4,8,29,6,3,21,7,20,12,14,22,9,13,19,31,30,11,15,10,23/E:(9,10)(11,12)/rA:31cCCCCCCCCCONCCCOCCCCCCCSCCCCCCNF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s7d12;s13;d14;s14;s16;s12s17;s11;d19;s20;d21;s19s22;s22;s24;s25;s26;s21s27;s20;t29;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₃FN₂O₂S
All Atoms:	54
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	10.8318
Area:	602.865
Solvation:	-4.23984
Coulombic:	-29.8877

Bond Count [?]

All:	35
Single:	26
Double:	8
Rotors:	2
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.77
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