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Chemical ID: 7266784

Chemical ID:

7266784

Name [?]:

N-(4-acetamidophenyl)-3-(4-fluorophenyl)sulfanyl-propanamide

SMILES [?]:

CC(=O)Nc1ccc(cc1)NC(=O)CCSc2ccc(cc2)F

InChi [?]:

InChI=1/C17H17FN2O2S/c1-12(21)19-14-4-6-15(7-5-14)20-17(22)10-11-23-16-8-2-13(18)3-9-16/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,19,21,6,10,7,9,18,22,14,15,2,20,5,8,17,12,23,4,11,3,13,16/E:(2,3)(4,5)(6,7)(8,9)/rA:23nCCONCCCCCCNCOCCSCCCCCCF/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇FN₂O₂S
All Atoms:	40
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.2753
Area:	548.819
Solvation:	-4.44518
Coulombic:	-43.3344

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	332.394
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	2.59
LogP (Chemaxon):	3.32

Name Annotations

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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