Chemical ID: 6023882

CCC(=O)N(CC=C)CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2
Chemical ID:
6023882
Name [?]:
N-allyl-N-[[(4-fluorophenyl)methyl-(2-thienylmethyl)carbamoyl]methyl]propanamide
SMILES [?]:
CCC(=O)N(CC=C)CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2
InChi [?]:
InChI=1/C20H23FN2O2S/c1-3-11-22(19(24)4-2)15-20(25)23(14-18-6-5-12-26-18)13-16-7-9-17(21)10-8-16/h3,5-10,12H,1,4,11,13-15H2,2H3
InChi Info:
AuxInfo=1/0/N:8,1,7,2,24,23,15,19,16,18,6,25,13,21,9,14,17,22,3,10,20,5,12,4,11,26/E:(7,8)(9,10)/rA:26nCCCONCCCCCONCCCCCCCFCCCCCS/rB:s1;s2;d3;s3;s5;s6;d7;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;s12;s21;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23FN2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.1648
Area:584.047
Solvation:-4.43638
Coulombic:-38.8978
Bond Count [?]
All:27
Single:19
Double:8
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:374.473
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.68
LogP (Chemaxon):3.11

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Descriptor Annotations

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