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Chemical ID: 7674654

CC1(CC2=C(C(CC(=O)N2c3c(c4c(s3)CCCCC4)C#N)c5ccc(cc5)F)C(=O)C1)C

Chemical ID:

7674654

Name [?]:

None

SMILES [?]:

CC1(CC2=C(C(CC(=O)N2c3c(c4c(s3)CCCCC4)C#N)c5ccc(cc5)F)C(=O)C1)C

InChi [?]:

InChI=1/C27H27FN2O2S/c1-27(2)13-21-25(22(31)14-27)19(16-8-10-17(28)11-9-16)12-24(32)30(21)26-20(15-29)18-6-4-3-5-7-23(18)33-26/h8-11,19H,3-7,12-14H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,33,18,19,17,20,16,24,28,25,27,7,3,32,21,23,26,13,6,12,4,30,14,8,5,11,2,29,22,10,31,9,15/E:(1,2)(8,9)(10,11)/rA:33cCCCCCCCCONCCCCSCCCCCCNCCCCCCFCOCC/rB:s1;s2;s3;d4;s5;s6;s7;d8;s4s8;s10;d11;s12;d13;s11s14;s14;s16;s17;s18;s13s19;s12;t21;s6;s23;d24;s25;d26;d23s27;s26;s5;d30;s2s30;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₇FN₂O₂S
All Atoms:	60
Heavy Atoms:	33
Chiral Atoms:	None

ZAP Information [?]

Total:	11.4944
Area:	625.349
Solvation:	-4.13928
Coulombic:	-30.6058

Bond Count [?]

All:	37
Single:	28
Double:	8
Rotors:	2
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.88
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