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Chemical ID: 6019663

Chemical ID:

6019663

Name [?]:

N-[(4-fluorophenyl)methyl]-2-isopropylamino-N-[(3-methyl-2-thienyl)methyl]acetamide

SMILES [?]:

Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CNC(C)C

InChi [?]:

InChI=1/C18H23FN2OS/c1-13(2)20-10-18(22)21(12-17-14(3)8-9-23-17)11-15-4-6-16(19)7-5-15/h4-9,13,20H,10-12H2,1-3H3

InChi Info:

AuxInfo=1/0/N:22,23,1,11,15,12,14,3,4,19,9,7,21,2,10,13,6,17,16,20,8,18,5/E:(1,2)(4,5)(6,7)/rA:23nCCCCSCCNCCCCCCCFCOCNCCC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₃FN₂OS
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.66553
Area:	528.346
Solvation:	-3.54312
Coulombic:	-30.6672

Bond Count [?]

All:	24
Single:	18
Double:	6
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	334.453
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	2.81
LogP (Chemaxon):	3.3

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