Chemical ID: 6018155

CC(C)CNC(=O)CC(c1cccs1)c2cn(c3c2cccc3)Cc4ccc(cc4)F
Chemical ID:
6018155
Name [?]:
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-isobutyl-3-(2-thienyl)propanamide
SMILES [?]:
CC(C)CNC(=O)CC(c1cccs1)c2cn(c3c2cccc3)Cc4ccc(cc4)F
InChi [?]:
InChI=1/C26H27FN2OS/c1-18(2)15-28-26(30)14-22(25-8-5-13-31-25)23-17-29(24-7-4-3-6-21(23)24)16-19-9-11-20(27)12-10-19/h3-13,17-18,22H,14-16H2,1-2H3,(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,3,21,22,12,20,23,11,26,30,27,29,13,8,4,24,16,2,25,28,19,9,15,18,10,6,31,5,17,7,14/E:(1,2)(9,10)(11,12)/rA:31cCCCCNCOCCCCCCSCCNCCCCCCCCCCCCCF/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;d10;s11;d12;s10s13;s9;d15;s16;s17;s15s18;d19;s20;d21;d18s22;s17;s24;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H27FN2OS
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:13.1553
Area:677.592
Solvation:-3.78453
Coulombic:-33.4509
Bond Count [?]
All:34
Single:24
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:434.57
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.28
LogP (Chemaxon):6.12

Name Annotations

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Descriptor Annotations

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