Chemical ID: 6024992

CCC(=O)N(CC=C)CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C
Chemical ID:
6024992
Name [?]:
N-allyl-N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]propanamide
SMILES [?]:
CCC(=O)N(CC=C)CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C
InChi [?]:
InChI=1/C21H25FN2O2S/c1-4-11-23(20(25)5-2)15-21(26)24(14-19-16(3)10-12-27-19)13-17-6-8-18(22)9-7-17/h4,6-10,12H,1,5,11,13-15H2,2-3H3
InChi Info:
AuxInfo=1/0/N:8,1,27,7,2,15,19,16,18,24,6,25,13,21,9,23,14,17,22,3,10,20,5,12,4,11,26/E:(6,7)(8,9)/rA:27nCCCONCCCCCONCCCCCCCFCCCCCSC/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;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25FN2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.4082
Area:595.035
Solvation:-4.46762
Coulombic:-38.7069
Bond Count [?]
All:28
Single:20
Double:8
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:388.5
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.82
LogP (Chemaxon):3.57

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Descriptor Annotations

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