Chemical ID: 6019635

CC(C)CNCC(=O)N(Cc1ccc(cc1)F)Cc2cccs2
Chemical ID:
6019635
Name [?]:
N-[(4-fluorophenyl)methyl]-2-isobutylamino-N-(2-thienylmethyl)acetamide
SMILES [?]:
CC(C)CNCC(=O)N(Cc1ccc(cc1)F)Cc2cccs2
InChi [?]:
InChI=1/C18H23FN2OS/c1-14(2)10-20-11-18(22)21(13-17-4-3-9-23-17)12-15-5-7-16(19)8-6-15/h3-9,14,20H,10-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,21,20,12,16,13,15,22,4,6,10,18,2,11,14,19,7,17,5,9,8,23/E:(1,2)(5,6)(7,8)/rA:23nCCCCNCCONCCCCCCCFCCCCCS/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;s9;s18;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23FN2OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.2033
Area:551.76
Solvation:-3.59064
Coulombic:-31.286
Bond Count [?]
All:24
Single:18
Double:6
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:334.453
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.86
LogP (Chemaxon):3.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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