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Chemical ID: 7669331

c1ccc(c(c1)C2CC(=O)N(C3=C2C(=O)CCC3)c4c(c5c(s4)CCCC5)C#N)F

Chemical ID:

7669331

Name [?]:

None

SMILES [?]:

c1ccc(c(c1)C2CC(=O)N(C3=C2C(=O)CCC3)c4c(c5c(s4)CCCC5)C#N)F

InChi [?]:

InChI=1/C24H21FN2O2S/c25-18-8-3-1-6-14(18)16-12-22(29)27(19-9-5-10-20(28)23(16)19)24-17(13-26)15-7-2-4-11-21(15)30-24/h1,3,6,8,16H,2,4-5,7,9-12H2

InChi Info:

AuxInfo=1/0/N:1,26,2,25,17,6,27,3,18,16,24,8,28,5,21,7,20,4,12,14,22,9,13,19,30,29,11,15,10,23/rA:30cCCCCCCCCCONCCCOCCCCCCCSCCCCCNF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s7d12;s13;d14;s14;s16;s12s17;s11;d19;s20;d21;s19s22;s22;s24;s25;s21s26;s20;t28;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₁FN₂O₂S
All Atoms:	51
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	10.4299
Area:	584.811
Solvation:	-4.19032
Coulombic:	-29.8627

Bond Count [?]

All:	34
Single:	25
Double:	8
Rotors:	2
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.2
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