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Chemical ID: 3881083

c1cc(sc1)CC(=O)N(Cc2cccs2)C(c3ccc(cc3)F)C(=O)NC4CCCCC4

Chemical ID:

3881083

Name [?]:

N-[cyclohexylcarbamoyl-(4-fluorophenyl)-methyl]-2-(2-thienyl)-N-(2-thienylmethyl)acetamide

SMILES [?]:

c1cc(sc1)CC(=O)N(Cc2cccs2)C(c3ccc(cc3)F)C(=O)NC4CCCCC4

InChi [?]:

InChI=1/C25H27FN2O2S2/c26-19-12-10-18(11-13-19)24(25(30)27-20-6-2-1-3-7-20)28(17-22-9-5-15-32-22)23(29)16-21-8-4-14-31-21/h4-5,8-15,20,24H,1-3,6-7,16-17H2,(H,27,30)

InChi Info:

AuxInfo=1/1/N:30,29,31,1,13,28,32,2,12,18,22,19,21,5,14,6,10,17,20,27,3,11,7,16,24,23,26,9,8,25,4,15/E:(2,3)(6,7)(10,11)(12,13)/rA:32cCCCSCCCONCCCCCSCCCCCCCFCONCCCCCC/rB:s1;d2;s3;d1s4;s3;s6;d7;s7;s9;s10;d11;s12;d13;s11s14;s9;s16;s17;d18;s19;d20;d17s21;s20;s16;d24;s24;s26;s27;s28;s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₇FN₂O₂S₂
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	12.6028
Area:	657.107
Solvation:	-3.82491
Coulombic:	-45.557

Bond Count [?]

All:	35
Single:	26
Double:	9
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	470.625
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.95
LogP (Chemaxon):	4.53

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value