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Chemical ID: 6024855

CCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C(=O)Cc3ccc(cc3)F

Chemical ID:

6024855

Name [?]:

2-[[2-(4-fluorophenyl)acetyl]-propyl-amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methyl-2-thienyl)methyl]acetamide

SMILES [?]:

CCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C(=O)Cc3ccc(cc3)F

InChi [?]:

InChI=1/C26H28F2N2O2S/c1-3-13-29(25(31)15-20-4-8-22(27)9-5-20)18-26(32)30(17-24-19(2)12-14-33-24)16-21-6-10-23(28)11-7-21/h4-12,14H,3,13,15-18H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,23,2,28,32,11,15,29,31,12,14,20,3,21,26,9,17,5,19,27,10,30,13,18,24,6,33,16,4,8,25,7,22/E:(4,5)(6,7)(8,9)(10,11)/rA:33nCCCNCCONCCCCCCCFCCCCCSCCOCCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;s17;d18;s19;d20;s18s21;s19;s4;d24;s24;s26;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₈F₂N₂O₂S
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	11.6818
Area:	691.848
Solvation:	-5.61445
Coulombic:	-42.3179

Bond Count [?]

All:	35
Single:	25
Double:	10
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	470.576
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.42
LogP (Chemaxon):	5.0

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

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

Chemical Mix	Source	External ID	Descriptor	Value