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Chemical ID: 6019662

Chemical ID:

6019662

Name [?]:

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

SMILES [?]:

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

InChi [?]:

InChI=1/C19H25FN2OS/c1-14(2)10-21-11-19(23)22(13-18-15(3)8-9-24-18)12-16-4-6-17(20)7-5-16/h4-9,14,21H,10-13H2,1-3H3

InChi Info:

AuxInfo=1/0/N:23,24,1,11,15,12,14,3,4,21,19,9,7,22,2,10,13,6,17,16,20,8,18,5/E:(1,2)(4,5)(6,7)/rA:24nCCCCSCCNCCCCCCCFCOCNCCCC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₅FN₂OS
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4634
Area:	561.38
Solvation:	-3.57115
Coulombic:	-31.175

Bond Count [?]

All:	25
Single:	19
Double:	6
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	348.479
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.0
LogP (Chemaxon):	3.75

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